 Entering Gaussian System, Link 0=g16
 Input=36d_RhEn3-ob3_STD_wB97XD-augccpVDZr.in
 Output=36d_RhEn3-ob3_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/36d_RhEn3-ob3_STD/Gau-30902.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/36d_RhEn3-ob3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     30903.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36d_RhEn3-ob3_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 00:44:13 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36d_RhEn3-ob3_STD_wB97XD-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.888503000000     -2.283626000000      0.346441000000
  C                                                -2.701393000000     -1.217376000000     -0.346813000000
  N                                                -1.764324000000     -0.337100000000     -1.129343000000
  Rh                                                0.000137000000     -0.000290000000      0.000013000000
  N                                                -0.791312000000     -1.612960000000      1.128524000000
  N                                                 1.791723000000      0.121006000000      1.129851000000
  C                                                 2.921909000000     -0.491806000000      0.347289000000
  C                                                 2.406559000000     -1.729107000000     -0.346832000000
  N                                                 1.175543000000     -1.358466000000     -1.129476000000
  N                                                 0.590741000000      1.696308000000     -1.128278000000
  C                                                 0.295422000000      2.947860000000     -0.346258000000
  C                                                -1.034809000000      2.775943000000      0.346020000000
  N                                                -1.002175000000      1.490800000000      1.128835000000
  H                                                 2.129415000000     -2.500430000000      0.372568000000
  H                                                 3.162755000000     -2.156588000000     -1.006173000000
  H                                                 3.274326000000      0.248135000000     -0.372189000000
  H                                                 3.757967000000     -0.727492000000      1.006648000000
  H                                                 1.100920000000      3.093573000000      0.374343000000
  H                                                 0.288614000000      3.816420000000     -1.005696000000
  H                                                -1.850762000000      2.711245000000     -0.374670000000
  H                                                -1.249471000000      3.617991000000      1.004939000000
  H                                                -3.229730000000     -0.591602000000      0.373293000000
  H                                                -3.450537000000     -1.657262000000     -1.006036000000
  H                                                -1.425273000000     -2.959234000000     -0.373430000000
  H                                                -2.511055000000     -2.889142000000      1.006049000000
  H                                                -0.108747000000     -2.318114000000      1.404588000000
  H                                                -1.178462000000     -1.274245000000      2.009660000000
  H                                                -2.263642000000      0.507788000000     -1.405377000000
  H                                                -1.540523000000     -0.800167000000     -2.010547000000
  H                                                -1.954196000000      1.251545000000      1.404096000000
  H                                                -0.516258000000      1.657364000000      2.010418000000
  H                                                 1.572245000000      1.706926000000     -1.403733000000
  H                                                 0.078341000000      1.733532000000     -2.009807000000
  H                                                 2.059772000000      1.064893000000      1.406565000000
  H                                                 1.692659000000     -0.384485000000      2.010616000000
  H                                                 0.694313000000     -2.213552000000     -1.406187000000
  H                                                 1.464666000000     -0.932467000000     -2.010390000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 00:44:14 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888503   -2.283626    0.346441
      2          6           0       -2.701393   -1.217376   -0.346813
      3          7           0       -1.764324   -0.337100   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791312   -1.612960    1.128524
      6          7           0        1.791723    0.121006    1.129851
      7          6           0        2.921909   -0.491806    0.347289
      8          6           0        2.406559   -1.729107   -0.346832
      9          7           0        1.175543   -1.358466   -1.129476
     10          7           0        0.590741    1.696308   -1.128278
     11          6           0        0.295422    2.947860   -0.346258
     12          6           0       -1.034809    2.775943    0.346020
     13          7           0       -1.002175    1.490800    1.128835
     14          1           0        2.129415   -2.500430    0.372568
     15          1           0        3.162755   -2.156588   -1.006173
     16          1           0        3.274326    0.248135   -0.372189
     17          1           0        3.757967   -0.727492    1.006648
     18          1           0        1.100920    3.093573    0.374343
     19          1           0        0.288614    3.816420   -1.005696
     20          1           0       -1.850762    2.711245   -0.374670
     21          1           0       -1.249471    3.617991    1.004939
     22          1           0       -3.229730   -0.591602    0.373293
     23          1           0       -3.450537   -1.657262   -1.006036
     24          1           0       -1.425273   -2.959234   -0.373430
     25          1           0       -2.511055   -2.889142    1.006049
     26          1           0       -0.108747   -2.318114    1.404588
     27          1           0       -1.178462   -1.274245    2.009660
     28          1           0       -2.263642    0.507788   -1.405377
     29          1           0       -1.540523   -0.800167   -2.010547
     30          1           0       -1.954196    1.251545    1.404096
     31          1           0       -0.516258    1.657364    2.010418
     32          1           0        1.572245    1.706926   -1.403733
     33          1           0        0.078341    1.733532   -2.009807
     34          1           0        2.059772    1.064893    1.406565
     35          1           0        1.692659   -0.384485    2.010616
     36          1           0        0.694313   -2.213552   -1.406187
     37          1           0        1.464666   -0.932467   -2.010390
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509397   0.000000
     3  N    2.445879   1.505104   0.000000
     4  Rh   2.983387   2.983262   2.121841   0.000000
     5  N    1.505083   2.445714   2.769934   2.121470   0.000000
     6  N    4.465428   4.915272   4.237840   2.121562   3.111062
     7  C    5.133292   5.712246   4.915807   2.983109   3.956681
     8  C    4.385850   5.133521   4.466125   2.983283   3.523712
     9  N    3.524575   3.957664   3.112235   2.121784   3.005304
    10  N    4.915417   4.465242   3.111443   2.121391   4.237273
    11  C    5.711200   5.131286   3.955596   2.983066   4.914982
    12  C    5.131085   4.382250   3.521353   2.983002   4.464759
    13  N    3.955251   3.521235   3.003574   2.121843   3.110915
    14  H    4.023848   5.049796   4.700738   3.305045   3.144792
    15  H    5.230766   5.975375   5.253743   3.957800   4.526269
    16  H    5.794916   6.152852   5.128721   3.304628   4.716485
    17  H    5.894069   6.617792   5.933849   3.957704   4.636254
    18  H    6.152373   5.793266   4.715953   3.305122   5.128429
    19  H    6.616545   5.891805   4.634822   3.957518   5.932900
    20  H    5.046797   4.019753   3.141562   3.304336   4.699019
    21  H    5.972526   5.226479   4.523602   3.957696   5.252431
    22  H    2.159295   1.090544   2.114261   3.304698   2.749441
    23  H    2.159045   1.090546   2.145075   3.957884   3.410247
    24  H    1.090524   2.159458   2.749899   3.305541   2.114291
    25  H    1.090552   2.158996   3.410341   3.957734   2.145031
    26  H    2.070844   3.316752   3.617480   2.712378   1.019484
    27  H    2.071064   2.806335   3.327884   2.655323   1.020301
    28  H    3.316864   2.070839   1.019485   2.712556   3.617455
    29  H    2.806623   2.071157   1.020313   2.656273   3.328020
    30  H    3.690580   3.117620   2.996357   2.712556   3.103809
    31  H    4.492580   4.312248   3.923475   2.656353   3.398295
    32  H    5.564566   5.285130   3.922502   2.712308   4.797955
    33  H    5.055486   4.381818   2.908290   2.655491   4.669521
    34  H    5.284441   5.563432   4.797929   2.712029   3.921337
    35  H    4.381887   5.055578   4.670366   2.656080   2.908152
    36  H    3.122107   3.693976   3.105255   2.712528   2.998758
    37  H    4.315556   4.494965   3.399571   2.656223   3.924957
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.505079   0.000000
     8  C    2.445718   1.509405   0.000000
     9  N    2.770031   2.445757   1.505094   0.000000
    10  N    3.003844   3.521290   3.954911   3.110247   0.000000
    11  C    3.522629   4.383006   5.131366   4.464581   1.505042
    12  C    3.956307   5.131647   5.711264   4.914884   2.445727
    13  N    3.111624   4.465420   4.915777   4.238011   2.770230
    14  H    2.749444   2.159457   1.090543   2.114259   4.715153
    15  H    3.410244   2.159020   1.090552   2.145044   4.634110
    16  H    2.114331   1.090577   2.159432   2.749462   3.141736
    17  H    2.145051   1.090548   2.159038   3.410288   4.523719
    18  H    3.143908   4.021402   5.048072   4.699754   2.114356
    19  H    4.525039   5.227392   5.972660   5.251801   2.145037
    20  H    4.715996   5.793026   6.151608   5.127456   2.749356
    21  H    4.636094   5.892652   6.617046   5.933089   3.410258
    22  H    5.127883   6.152503   5.794847   4.717290   4.699494
    23  H    5.933426   6.617994   5.894513   4.637363   5.252933
    24  H    4.700723   5.050310   4.024532   3.146158   5.129150
    25  H    5.252639   5.974804   5.230573   4.527079   5.933198
    26  H    3.104283   3.692988   3.121084   2.998634   4.797945
    27  H    3.397468   4.493187   4.314201   3.924616   4.669145
    28  H    4.798225   5.564258   5.285357   3.922629   3.104330
    29  H    4.670602   5.056459   4.382959   2.909467   3.398981
    30  H    3.922402   5.285122   5.564730   4.798584   3.617656
    31  H    2.909050   4.382456   5.056449   4.670798   3.328419
    32  H    2.997059   3.118027   3.690453   3.103098   1.019479
    33  H    3.923439   4.312066   4.491765   3.396953   1.020310
    34  H    1.019482   2.070907   3.316790   3.617462   2.997026
    35  H    1.020334   2.071046   2.806283   3.328096   3.923847
    36  H    3.617452   3.316816   2.070919   1.019472   3.921092
    37  H    3.328346   2.806491   2.071044   1.020332   2.907288
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509410   0.000000
    13  N    2.445952   1.505143   0.000000
    14  H    5.793454   6.152490   5.129202   0.000000
    15  H    5.891729   6.616482   5.933662   1.756971   0.000000
    16  H    4.020330   5.047205   4.699548   3.069217   2.489393
    17  H    5.227598   5.973373   5.253066   2.489488   2.539299
    18  H    1.090562   2.159405   2.749754   5.687765   5.806994
    19  H    1.090551   2.158976   3.410406   6.722407   6.628538
    20  H    2.159375   1.090577   2.114264   6.600131   7.016406
    21  H    2.159051   1.090550   2.145098   7.017965   7.540429
    22  H    5.047003   4.019799   3.141535   5.688942   6.724282
    23  H    5.972827   5.226577   4.523543   5.809247   6.632116
    24  H    6.152665   5.793300   4.715784   3.660986   4.700490
    25  H    6.616316   5.891361   4.634187   4.699612   6.064470
    26  H    5.564108   5.284655   3.921999   2.471371   4.067012
    27  H    5.054587   4.380908   2.907302   3.889171   5.359099
    28  H    3.691137   3.118004   2.996638   5.613325   6.058387
    29  H    4.493135   4.312507   3.923527   4.694526   4.996946
    30  H    3.316927   2.070890   1.019488   5.640678   6.603632
    31  H    2.806800   2.071312   1.020317   5.193206   6.097638
    32  H    2.070857   3.316800   3.617769   4.600818   4.196965
    33  H    2.071017   2.806358   3.328289   5.273429   5.064970
    34  H    3.119437   3.691731   3.103877   3.712887   4.173226
    35  H    4.314122   4.494248   3.399465   2.711306   3.795069
    36  H    5.284197   5.563735   4.798607   2.303429   2.501292
    37  H    4.381028   5.054933   4.670360   2.928974   2.321730
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756971   0.000000
    18  H    3.657529   4.696834   0.000000
    19  H    4.695579   6.060782   1.756945   0.000000
    20  H    5.686250   6.722410   3.069140   2.489284   0.000000
    21  H    5.806647   6.630057   2.489378   2.539239   1.757003
    22  H    6.600276   7.017657   5.686391   5.806119   3.656474
    23  H    7.018268   7.541744   6.722473   6.628910   4.694865
    24  H    5.689767   5.809584   6.601310   7.017596   5.686420
    25  H    6.724037   6.631242   7.017000   7.539882   5.805748
    26  H    4.603016   4.199989   5.640129   6.603020   5.612025
    27  H    5.274293   5.066883   5.191115   6.095864   4.692670
    28  H    5.639502   6.603299   4.601518   4.197714   2.467397
    29  H    5.192873   6.097765   5.275048   5.066394   3.886175
    30  H    5.612438   6.058330   3.713111   4.173234   2.303352
    31  H    4.693748   4.996408   2.711955   3.795561   2.929200
    32  H    2.467637   4.063706   2.303582   2.501221   3.712762
    33  H    3.886196   5.356798   2.929087   2.321826   2.711279
    34  H    2.303519   2.501288   2.469903   4.065330   4.601690
    35  H    2.929102   2.321875   3.889014   5.358832   5.275317
    36  H    3.712886   4.173263   5.612592   6.056860   5.638711
    37  H    2.711530   3.795229   4.693427   4.994441   5.190788
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.694792   0.000000
    23  H    6.059456   1.756968   0.000000
    24  H    6.722403   3.069095   2.489381   0.000000
    25  H    6.628301   2.489089   2.539417   1.756928   0.000000
    26  H    6.057913   3.712809   4.173176   2.303394   2.501198
    27  H    4.994845   2.711346   3.795188   2.929031   2.321838
    28  H    4.063438   2.303400   2.501127   3.713222   4.173167
    29  H    5.357050   2.929098   2.322027   2.712011   3.795471
    30  H    2.501206   2.467130   4.063118   4.601089   4.196882
    31  H    2.322207   3.885995   5.356840   5.274658   5.065441
    32  H    4.173242   5.612488   6.058404   5.640894   6.603350
    33  H    3.795124   4.693479   4.995800   5.192363   6.096677
    34  H    4.198893   5.638303   6.602596   5.613156   6.057001
    35  H    5.068267   5.191689   6.096935   4.694093   4.995365
    36  H    6.602933   4.603845   4.201114   2.472908   4.068131
    37  H    6.096345   5.275935   5.068853   3.890909   5.360395
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.612472   0.000000
    28  H    4.530474   4.001966   0.000000
    29  H    4.002161   4.064222   1.612414   0.000000
    30  H    4.018476   2.710735   2.922682   4.005051   0.000000
    31  H    4.041970   3.005469   4.005313   4.822524   1.612446
    32  H    5.187808   5.301417   4.018951   4.042655   4.530680
    33  H    5.301786   5.175171   2.711580   3.006718   4.002281
    34  H    4.018360   4.039981   5.187417   5.302568   4.018306
    35  H    2.711320   3.005829   5.302592   5.176486   4.042773
    36  H    2.925114   4.007193   4.019352   2.712453   5.188370
    37  H    4.007209   4.823250   4.042358   3.008100   5.302569
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.002590   0.000000
    33  H    4.064672   1.612384   0.000000
    34  H    2.711382   2.923639   4.005589   0.000000
    35  H    3.008066   4.005781   4.822429   1.612559   0.000000
    36  H    5.303080   4.017576   4.040204   4.530370   4.002090
    37  H    5.176696   2.710351   3.004904   4.002397   4.064573
                   36         37
    36  H    0.000000
    37  H    1.612353   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.30D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888523   -2.283610    0.346441
      2          6           0       -2.701404   -1.217353   -0.346813
      3          7           0       -1.764327   -0.337085   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791326   -1.612953    1.128524
      6          7           0        1.791724    0.120990    1.129851
      7          6           0        2.921905   -0.491832    0.347289
      8          6           0        2.406544   -1.729128   -0.346832
      9          7           0        1.175531   -1.358476   -1.129476
     10          7           0        0.590756    1.696303   -1.128278
     11          6           0        0.295448    2.947857   -0.346258
     12          6           0       -1.034785    2.775952    0.346020
     13          7           0       -1.002162    1.490809    1.128835
     14          1           0        2.129393   -2.500449    0.372568
     15          1           0        3.162736   -2.156616   -1.006173
     16          1           0        3.274328    0.248106   -0.372189
     17          1           0        3.757961   -0.727525    1.006648
     18          1           0        1.100947    3.093563    0.374343
     19          1           0        0.288647    3.816417   -1.005696
     20          1           0       -1.850738    2.711261   -0.374670
     21          1           0       -1.249439    3.618002    1.004939
     22          1           0       -3.229735   -0.591574    0.373293
     23          1           0       -3.450551   -1.657232   -1.006036
     24          1           0       -1.425299   -2.959222   -0.373430
     25          1           0       -2.511080   -2.889120    1.006049
     26          1           0       -0.108767   -2.318113    1.404588
     27          1           0       -1.178473   -1.274235    2.009660
     28          1           0       -2.263637    0.507808   -1.405377
     29          1           0       -1.540530   -0.800154   -2.010547
     30          1           0       -1.954185    1.251562    1.404096
     31          1           0       -0.516243    1.657368    2.010418
     32          1           0        1.572260    1.706912   -1.403733
     33          1           0        0.078356    1.733531   -2.009807
     34          1           0        2.059781    1.064875    1.406565
     35          1           0        1.692656   -0.384500    2.010616
     36          1           0        0.694294   -2.213558   -1.406187
     37          1           0        1.464658   -0.932480   -2.010390
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7090961           0.7085638           0.4562113
 Leave Link  202 at Fri Jul  9 00:44:14 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.5355266150 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0397294260 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.4957971890 Hartrees.
 Leave Link  301 at Fri Jul  9 00:44:17 2021, MaxMem= 10737418240 cpu:              44.0 elap:               2.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29876 LenP2D=  115070.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.15D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul  9 00:44:19 2021, MaxMem= 10737418240 cpu:              30.8 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 00:44:20 2021, MaxMem= 10737418240 cpu:               3.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36d_RhEn3-ob3_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 00:44:22 2021, MaxMem= 10737418240 cpu:              23.0 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.884228973768    
 DIIS: error= 5.87D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.884228973768     IErMin= 1 ErrMin= 5.87D-02
 ErrMax= 5.87D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-02 BMatP= 8.79D-02
 IDIUse=3 WtCom= 4.13D-01 WtEn= 5.87D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 GapD=    0.385 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=3.24D-02 MaxDP=1.25D+01              OVMax= 2.02D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.07D-03    CP:  1.22D+00
 E= -680.887691167432     Delta-E=       -0.003462193663 Rises=F Damp=T
 DIIS: error= 4.43D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.887691167432     IErMin= 2 ErrMin= 4.43D-02
 ErrMax= 4.43D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.00D-02 BMatP= 8.79D-02
 IDIUse=3 WtCom= 5.57D-01 WtEn= 4.43D-01
 Coeff-Com: -0.297D+01 0.397D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.166D+01 0.266D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.91D-02 MaxDP=1.13D+01 DE=-3.46D-03 OVMax= 9.22D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.67D-03    CP:  1.99D+00  3.00D+00
 E= -680.898327962157     Delta-E=       -0.010636794725 Rises=F Damp=F
 DIIS: error= 1.25D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.898327962157     IErMin= 3 ErrMin= 1.25D-03
 ErrMax= 1.25D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.61D-04 BMatP= 5.00D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.25D-02
 Coeff-Com: -0.127D+01 0.167D+01 0.594D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.125D+01 0.165D+01 0.599D+00
 Gap=     0.389 Goal=   None    Shift=    0.000
 RMSDP=8.17D-04 MaxDP=2.81D-01 DE=-1.06D-02 OVMax= 7.95D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.78D-04    CP:  2.01D+00  3.00D+00  1.06D+00
 E= -680.898960732642     Delta-E=       -0.000632770485 Rises=F Damp=F
 DIIS: error= 3.89D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.898960732642     IErMin= 4 ErrMin= 3.89D-04
 ErrMax= 3.89D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.56D-05 BMatP= 8.61D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.89D-03
 Coeff-Com:  0.101D-01-0.161D-01 0.188D+00 0.818D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.101D-01-0.160D-01 0.188D+00 0.818D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.13D-04 MaxDP=2.40D-01 DE=-6.33D-04 OVMax= 1.21D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.09D-05    CP:  2.03D+00  3.00D+00  1.11D+00  7.76D-01
 E= -680.899002721368     Delta-E=       -0.000041988726 Rises=F Damp=F
 DIIS: error= 5.50D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.899002721368     IErMin= 5 ErrMin= 5.50D-05
 ErrMax= 5.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-06 BMatP= 5.56D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D+00-0.206D+00-0.665D-02 0.214D+00 0.843D+00
 Coeff:      0.155D+00-0.206D+00-0.665D-02 0.214D+00 0.843D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.57D-04 MaxDP=6.17D-02 DE=-4.20D-05 OVMax= 4.09D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.71D-05    CP:  2.03D+00  3.00D+00  1.12D+00  7.31D-01  1.22D+00
 E= -680.899005178772     Delta-E=       -0.000002457404 Rises=F Damp=F
 DIIS: error= 1.65D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.899005178772     IErMin= 6 ErrMin= 1.65D-05
 ErrMax= 1.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-07 BMatP= 1.98D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.508D-01-0.673D-01-0.154D-01 0.933D-02 0.324D+00 0.698D+00
 Coeff:      0.508D-01-0.673D-01-0.154D-01 0.933D-02 0.324D+00 0.698D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=8.48D-06 MaxDP=2.87D-03 DE=-2.46D-06 OVMax= 1.61D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.69D-06    CP:  2.03D+00  3.00D+00  1.12D+00  7.31D-01  1.24D+00
                    CP:  9.38D-01
 E= -680.899005492282     Delta-E=       -0.000000313509 Rises=F Damp=F
 DIIS: error= 7.95D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.899005492282     IErMin= 7 ErrMin= 7.95D-06
 ErrMax= 7.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-08 BMatP= 2.83D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-01 0.159D-01-0.229D-03-0.299D-01-0.473D-01 0.124D+00
 Coeff-Com:  0.949D+00
 Coeff:     -0.120D-01 0.159D-01-0.229D-03-0.299D-01-0.473D-01 0.124D+00
 Coeff:      0.949D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.19D-06 MaxDP=1.35D-03 DE=-3.14D-07 OVMax= 5.17D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  2.03D+00  3.00D+00  1.12D+00  7.22D-01  1.26D+00
                    CP:  9.38D-01  9.82D-01
 E= -680.899005519881     Delta-E=       -0.000000027600 Rises=F Damp=F
 DIIS: error= 1.47D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.899005519881     IErMin= 8 ErrMin= 1.47D-06
 ErrMax= 1.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-09 BMatP= 1.82D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.706D-02 0.937D-02 0.804D-03-0.131D-01-0.374D-01 0.439D-02
 Coeff-Com:  0.326D+00 0.717D+00
 Coeff:     -0.706D-02 0.937D-02 0.804D-03-0.131D-01-0.374D-01 0.439D-02
 Coeff:      0.326D+00 0.717D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.11D-06 MaxDP=8.40D-04 DE=-2.76D-08 OVMax= 1.06D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.59D-07    CP:  2.03D+00  3.00D+00  1.12D+00  7.20D-01  1.26D+00
                    CP:  9.50D-01  1.01D+00  1.01D+00
 E= -680.899005521767     Delta-E=       -0.000000001886 Rises=F Damp=F
 DIIS: error= 3.94D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.899005521767     IErMin= 9 ErrMin= 3.94D-07
 ErrMax= 3.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.80D-11 BMatP= 1.95D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.198D-03 0.261D-03 0.255D-03 0.454D-04-0.235D-02-0.875D-02
 Coeff-Com: -0.239D-01 0.140D+00 0.895D+00
 Coeff:     -0.198D-03 0.261D-03 0.255D-03 0.454D-04-0.235D-02-0.875D-02
 Coeff:     -0.239D-01 0.140D+00 0.895D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.90D-07 MaxDP=1.87D-04 DE=-1.89D-09 OVMax= 3.14D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.50D-08    CP:  2.03D+00  3.00D+00  1.12D+00  7.20D-01  1.26D+00
                    CP:  9.48D-01  1.01D+00  1.07D+00  9.53D-01
 E= -680.899005521946     Delta-E=       -0.000000000179 Rises=F Damp=F
 DIIS: error= 4.96D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.899005521946     IErMin=10 ErrMin= 4.96D-08
 ErrMax= 4.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-12 BMatP= 7.80D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.294D-03-0.390D-03-0.262D-04 0.597D-03 0.158D-02-0.800D-03
 Coeff-Com: -0.156D-01-0.233D-01 0.221D-01 0.102D+01
 Coeff:      0.294D-03-0.390D-03-0.262D-04 0.597D-03 0.158D-02-0.800D-03
 Coeff:     -0.156D-01-0.233D-01 0.221D-01 0.102D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.84D-08 MaxDP=2.89D-05 DE=-1.79D-10 OVMax= 9.91D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.25D-08    CP:  2.03D+00  3.00D+00  1.12D+00  7.20D-01  1.26D+00
                    CP:  9.48D-01  1.01D+00  1.08D+00  9.51D-01  1.19D+00
 E= -680.899005522020     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 2.96D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.899005522020     IErMin=11 ErrMin= 2.96D-08
 ErrMax= 2.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-13 BMatP= 1.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.324D-05-0.419D-05-0.156D-04 0.190D-05 0.104D-03 0.410D-03
 Coeff-Com:  0.137D-02-0.642D-02-0.399D-01 0.124D-01 0.103D+01
 Coeff:      0.324D-05-0.419D-05-0.156D-04 0.190D-05 0.104D-03 0.410D-03
 Coeff:      0.137D-02-0.642D-02-0.399D-01 0.124D-01 0.103D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.91D-08 MaxDP=7.64D-06 DE=-7.34D-11 OVMax= 5.90D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.59D-09    CP:  2.03D+00  3.00D+00  1.12D+00  7.20D-01  1.26D+00
                    CP:  9.48D-01  1.01D+00  1.08D+00  9.47D-01  1.20D+00
                    CP:  1.19D+00
 E= -680.899005521975     Delta-E=        0.000000000045 Rises=F Damp=F
 DIIS: error= 1.69D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -680.899005522020     IErMin=12 ErrMin= 1.69D-08
 ErrMax= 1.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.56D-14 BMatP= 1.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.357D-04 0.475D-04-0.159D-05-0.761D-04-0.166D-03 0.246D-03
 Coeff-Com:  0.246D-02 0.612D-03-0.170D-01-0.126D+00 0.366D+00 0.773D+00
 Coeff:     -0.357D-04 0.475D-04-0.159D-05-0.761D-04-0.166D-03 0.246D-03
 Coeff:      0.246D-02 0.612D-03-0.170D-01-0.126D+00 0.366D+00 0.773D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.23D-09 MaxDP=4.85D-07 DE= 4.48D-11 OVMax= 3.16D-07

 SCF Done:  E(RwB97XD) =  -680.899005522     A.U. after   12 cycles
            NFock= 12  Conv=0.22D-08     -V/T= 2.1213
 KE= 6.072242993985D+02 PE=-3.904929398790D+03 EE= 1.418310296681D+03
 Leave Link  502 at Fri Jul  9 01:02:36 2021, MaxMem= 10737418240 cpu:           17468.3 elap:            1093.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.30422098D+03

 Leave Link  801 at Fri Jul  9 01:02:36 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 2.90D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.50D-01 5.11D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 4.73D-02 5.92D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 7.21D-03 1.50D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 1.03D-03 7.64D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 1.30D-04 4.07D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 3.10D-05 1.69D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 6.16D-06 5.87D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 6.88D-07 2.22D-04.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 3.16D-08 4.64D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 1.93D-09 7.52D-06.
      9 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 8.14D-11 1.86D-06.
      3 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 2.74D-12 3.77D-07.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 8.64D-14 6.41D-08.
      1 vectors produced by pass 14 Test12= 4.72D-13 8.33D-09 XBig12= 3.10D-15 1.32D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.154664D+03
      2 -0.173106D-01  0.154593D+03
      3  0.586798D-02  0.442257D-02  0.120347D+03
 Isotropic polarizability for W=    0.085645      143.20 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.323129D+02 -0.795854D+02 -0.599138D-02
      2  -0.323151D+02  0.796567D+02 -0.179811D-01
      3   0.224008D-02 -0.713981D-01  0.239725D-01
      4  -0.796148D+02 -0.322431D+02  0.712563D-02
      5  -0.473604D-01  0.640094D+01  0.103950D-01
      6  -0.637512D+01 -0.410935D-01 -0.521319D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.480121D+01  0.112877D-01  0.118214D-01
      2  -0.229490D-01  0.483133D+01  0.282725D-01
      3  -0.409311D-01 -0.168730D+00 -0.799564D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.639382D+01 -0.231124D-01 -0.192661D-01
      2   0.413691D-01  0.638224D+01  0.815496D-02
      3  -0.294761D-01 -0.720630D-01 -0.127761D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.162984D-01  0.519740D-02  0.118465D-02
      2   0.519740D-02 -0.165127D-02  0.271260D-01
      3   0.118465D-02  0.271260D-01  0.162225D+01
 OR G Eigenvalues:    -0.0035     0.0177     1.6227  Iso=    -0.5456
 Eigenvectors:
   (1)  -0.253459   0.967215  -0.015954
   (2)   0.967346   0.253411  -0.004998
   (3)   0.000791   0.016700   0.999860
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5456 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      -91.38 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 5.27D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.50D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.25D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 6.63D-01 3.77D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.31D-02 2.35D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 2.41D-04 2.78D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 8.78D-06 3.75D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 1.25D-07 6.14D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 1.67D-09 8.93D-06.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 1.95D-11 9.32D-07.
     28 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 2.10D-13 8.22D-08.
      8 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 8.15D-15 1.39D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   276 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 2.86D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 2.86D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.51D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154664D+03 -0.173106D-01  0.586798D-02
      2  -0.173106D-01  0.154593D+03  0.442257D-02
      3   0.586798D-02  0.442257D-02  0.120347D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.480121D+01  0.112877D-01  0.118214D-01
      2  -0.229490D-01  0.483133D+01  0.282725D-01
      3  -0.409311D-01 -0.168730D+00 -0.799564D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.323129D+02 -0.795854D+02 -0.599138D-02
      2  -0.323151D+02  0.796567D+02 -0.179811D-01
      3   0.224008D-02 -0.713981D-01  0.239725D-01
      4  -0.796148D+02 -0.322431D+02  0.712563D-02
      5  -0.473604D-01  0.640094D+01  0.103950D-01
      6  -0.637512D+01 -0.410935D-01 -0.521319D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.480315D+00  0.164016D+01 -0.162939D+01  0.793685D+00  0.924192D+00
      2   0.164016D+01  0.196381D+01 -0.338548D+01  0.924192D+00  0.302386D+01
      3  -0.162939D+01 -0.338548D+01 -0.157922D+00 -0.343452D+01 -0.443497D+00
                 6             7             8             9            10 
      1  -0.343452D+01 -0.200091D+01 -0.473008D+01  0.330595D+00  0.391261D+01
      2  -0.443497D+00 -0.473008D+01 -0.131100D+01  0.268535D+01  0.511482D+00
      3   0.166777D+01  0.330595D+00  0.268535D+01 -0.331451D+00  0.226003D+01
                11            12            13            14            15 
      1   0.511482D+00  0.226003D+01  0.170777D+01  0.955799D+00  0.319443D+01
      2   0.319744D+00  0.323168D+01  0.955799D+00 -0.384092D+00 -0.191707D+00
      3   0.323168D+01  0.152921D+01  0.319443D+01 -0.191707D+00 -0.603804D+00
                16            17            18            19            20 
      1   0.369940D+01  0.422287D+01  0.265338D+01 -0.864115D+01 -0.164301D+01
      2   0.422287D+01 -0.471506D+00 -0.403094D+00 -0.164301D+01  0.432011D+00
      3   0.265338D+01 -0.403094D+00  0.300560D+00 -0.385600D+01 -0.225109D+01
                21            22            23            24            25 
      1  -0.385600D+01 -0.401138D+01 -0.449044D+00 -0.274341D+01 -0.263109D+01
      2  -0.225109D+01 -0.449044D+00 -0.123497D+01 -0.533962D-02 -0.139082D+01
      3  -0.161132D+01 -0.274341D+01 -0.533962D-02  0.362978D+00 -0.186473D+01
                26            27            28            29            30 
      1  -0.139082D+01 -0.186473D+01 -0.740465D+00  0.126739D+01 -0.901319D-01
      2   0.497120D-01  0.106203D+01  0.126739D+01  0.486471D+00 -0.162383D+01
      3   0.106203D+01  0.704985D+00 -0.901319D-01 -0.162383D+01 -0.638253D-01
                31            32            33            34            35 
      1   0.125339D+01  0.621645D+00  0.160911D+01 -0.176649D+00 -0.119789D-01
      2   0.621645D+00 -0.146819D+01 -0.912463D-03 -0.119789D-01 -0.756713D-01
      3   0.160911D+01 -0.912463D-03 -0.386464D-01 -0.676749D-01 -0.205342D-01
                36            37            38            39            40 
      1  -0.676749D-01 -0.192550D+01 -0.204665D+01  0.156694D+01 -0.603522D+00
      2  -0.205342D-01 -0.204665D+01 -0.537654D+01  0.339083D+01 -0.336856D+01
      3  -0.468496D-01  0.156694D+01  0.339083D+01 -0.786698D-01  0.289539D+01
                41            42            43            44            45 
      1  -0.336856D+01  0.289539D+01  0.987326D+00  0.193604D+01  0.497300D+00
      2  -0.606143D+01  0.232813D+01  0.193604D+01  0.185064D+01 -0.212572D+01
      3   0.232813D+01 -0.166018D+01  0.497300D+00 -0.212572D+01 -0.669661D+00
                46            47            48            49            50 
      1   0.985866D+01  0.842341D+00  0.493611D+01 -0.159293D+01 -0.250877D-01
      2   0.842341D+00 -0.296526D+00 -0.986489D+00 -0.250877D-01 -0.136219D+01
      3   0.493611D+01 -0.986489D+00  0.152694D+01 -0.145731D+01 -0.925584D+00
                51            52            53            54            55 
      1  -0.145731D+01  0.336504D+01 -0.575529D+00  0.163424D+01 -0.438118D+01
      2  -0.925584D+00 -0.575529D+00 -0.479215D+00  0.148948D+01 -0.362161D+00
      3   0.777851D+00  0.163424D+01  0.148948D+01 -0.623466D+00 -0.367463D+01
                56            57            58            59            60 
      1  -0.362161D+00 -0.367463D+01  0.101062D+01 -0.418881D+00  0.216476D+01
      2  -0.208094D+00  0.222784D+01 -0.418881D+00 -0.768152D+00  0.163617D+01
      3   0.222784D+01 -0.139261D+01  0.216476D+01  0.163617D+01 -0.961447D+00
                61            62            63            64            65 
      1  -0.548688D+01  0.263702D+01 -0.247023D+01 -0.172747D+01  0.213345D+01
      2   0.263702D+01  0.229729D+01 -0.104485D+01  0.213345D+01 -0.159777D+01
      3  -0.247023D+01 -0.104485D+01 -0.307775D+00  0.323033D+01 -0.263852D+01
                66            67            68            69            70 
      1   0.323033D+01  0.100886D+01 -0.874825D+00 -0.270486D+01  0.426645D+01
      2  -0.263852D+01 -0.874825D+00  0.206822D+01 -0.115323D+01 -0.393464D+01
      3  -0.255387D+00 -0.270486D+01 -0.115323D+01  0.164396D+01 -0.991548D+00
                71            72            73            74            75 
      1  -0.393464D+01 -0.991548D+00  0.365999D+01 -0.363987D+01 -0.316565D+01
      2  -0.985472D+00  0.247155D+01 -0.363987D+01  0.499429D+01  0.317510D+01
      3   0.247155D+01  0.301350D+00 -0.316565D+01  0.317510D+01  0.491011D+00
                76            77            78            79            80 
      1  -0.168033D+01  0.341308D+01  0.264778D+01 -0.188161D+01  0.190311D+01
      2   0.341308D+01 -0.279485D+01 -0.718152D+00  0.190311D+01 -0.756993D+00
      3   0.264778D+01 -0.718152D+00 -0.156978D+01  0.560594D-01 -0.215914D+01
                81            82            83            84            85 
      1   0.560594D-01 -0.112407D+01  0.745344D+00  0.116576D+01  0.110362D+01
      2  -0.215914D+01  0.745344D+00  0.733033D+00 -0.184559D+00  0.322426D+01
      3   0.686552D+00  0.116576D+01 -0.184559D+00  0.112877D+01 -0.679227D+00
                86            87            88            89            90 
      1   0.322426D+01 -0.679227D+00  0.567662D+00 -0.480576D+00  0.186065D+01
      2   0.875428D+01 -0.511102D+01 -0.480576D+00 -0.335745D+01  0.115406D+01
      3  -0.511102D+01  0.122696D+01  0.186065D+01  0.115406D+01  0.657991D+00
                91            92            93            94            95 
      1  -0.986280D+00 -0.266433D+00 -0.237217D+01 -0.382262D+00 -0.129983D+01
      2  -0.266433D+00  0.432658D-02 -0.517560D+00 -0.129983D+01 -0.413737D+01
      3  -0.237217D+01 -0.517560D+00 -0.130302D+01 -0.595988D+00  0.449332D+01
                96            97            98            99           100 
      1  -0.595988D+00 -0.303717D+01 -0.302314D+00 -0.167307D+01  0.136246D+01
      2   0.449332D+01 -0.302314D+00  0.633935D+01 -0.209995D+01 -0.519642D+00
      3  -0.107755D+01 -0.167307D+01 -0.209995D+01  0.310221D+00  0.219680D+01
               101           102           103           104           105 
      1  -0.519642D+00  0.219680D+01 -0.965923D+00  0.200791D+01  0.115961D+01
      2   0.699453D+00  0.123974D+01  0.200791D+01 -0.312102D+01 -0.425052D+01
      3   0.123974D+01  0.153216D+01  0.115961D+01 -0.425052D+01 -0.692177D+00
               106           107           108           109           110 
      1   0.257940D+01  0.204603D+01  0.216251D+01 -0.206035D+00  0.224442D+01
      2   0.204603D+01 -0.588527D+01 -0.161215D+01  0.224442D+01 -0.198194D+01
      3   0.216251D+01 -0.161215D+01 -0.314276D+00 -0.557385D+00 -0.169201D+01
               111           112           113           114           115 
      1  -0.557385D+00  0.326467D+01 -0.421937D+01 -0.215524D+01 -0.535029D-01
      2  -0.169201D+01 -0.421937D+01  0.637489D+01  0.445420D+01 -0.134281D+01
      3  -0.141754D+01 -0.215524D+01  0.445420D+01  0.867593D+00 -0.208948D+01
               116           117           118           119           120 
      1  -0.134281D+01 -0.208948D+01 -0.546182D+00 -0.862189D+00  0.262223D+00
      2   0.283923D+01  0.610512D+00 -0.862189D+00 -0.453273D+00  0.400730D+00
      3   0.610512D+00 -0.680308D+00  0.262223D+00  0.400730D+00 -0.268941D+00
               121           122           123           124           125 
      1  -0.144118D+01  0.486508D+00  0.119517D+00  0.758488D+00  0.230157D+00
      2   0.486508D+00 -0.492970D+01  0.160539D+01  0.230157D+00  0.271280D+01
      3   0.119517D+00  0.160539D+01 -0.146450D+01  0.232065D+00 -0.191890D+01
               126           127           128           129           130 
      1   0.232065D+00  0.647882D+01 -0.304433D+01 -0.225306D+01 -0.249116D+01
      2  -0.191890D+01 -0.304433D+01  0.259733D+01  0.132353D+01  0.255882D+01
      3   0.207766D+01 -0.225306D+01  0.132353D+01  0.170084D+01  0.126092D+01
               131           132           133           134           135 
      1   0.255882D+01  0.126092D+01 -0.361494D+01  0.252216D+01  0.256647D+01
      2  -0.326873D+01 -0.113015D+01  0.252216D+01 -0.193099D+01 -0.203994D+01
      3  -0.113015D+01 -0.116993D+01  0.256647D+01 -0.203994D+01 -0.258987D+01
               136           137           138           139           140 
      1   0.294599D+01  0.124454D+01 -0.706629D+00  0.227093D+01  0.121032D+01
      2   0.124454D+01  0.962573D+00 -0.526421D+00  0.121032D+01  0.285360D+01
      3  -0.706629D+00 -0.526421D+00  0.853178D+00 -0.794387D+00 -0.119962D+01
               141           142           143           144           145 
      1  -0.794387D+00 -0.150179D+01 -0.984608D+00  0.151601D+01  0.920119D+01
      2  -0.119962D+01 -0.984608D+00 -0.196803D+01  0.119396D+01 -0.111939D+01
      3   0.121784D+01  0.151601D+01  0.119396D+01 -0.208654D+01  0.298273D+01
               146           147           148           149           150 
      1  -0.111939D+01  0.298273D+01 -0.155307D+01  0.165994D+01 -0.618345D+00
      2   0.129124D+01 -0.546972D+00  0.165994D+01 -0.854200D+00  0.397749D+00
      3  -0.546972D+00  0.203731D+01 -0.618345D+00  0.397749D+00 -0.385400D+00
               151           152           153           154           155 
      1   0.528118D+01 -0.870613D+00  0.325842D+01  0.379072D+01  0.123565D+01
      2  -0.870613D+00  0.254050D+00 -0.381433D+00  0.123565D+01  0.226330D+01
      3   0.325842D+01 -0.381433D+00  0.258794D+01  0.151943D+01  0.566935D+00
               156           157           158           159           160 
      1   0.151943D+01  0.698267D+00  0.133861D+01  0.273341D+00  0.245762D+01
      2   0.566935D+00  0.133861D+01  0.170487D+01  0.388346D+00  0.692428D+00
      3   0.142023D+01  0.273341D+00  0.388346D+00  0.477379D+00  0.156958D+01
               161           162           163           164           165 
      1   0.692428D+00  0.156958D+01  0.280837D+00  0.146841D+01 -0.284303D+00
      2   0.100326D+01  0.114617D+01  0.146841D+01  0.191023D+00 -0.126186D+00
      3   0.114617D+01  0.209961D+01 -0.284303D+00 -0.126186D+00  0.167252D+00
               166           167           168           169           170 
      1   0.123605D+01  0.675871D+00 -0.189822D+00 -0.169330D+00 -0.533951D+00
      2   0.675871D+00  0.950301D+01 -0.309496D+01 -0.533951D+00 -0.535686D+01
      3  -0.189822D+00 -0.309496D+01  0.206284D+01  0.492870D+00  0.323571D+01
               171           172           173           174           175 
      1   0.492870D+00 -0.451231D+01  0.105104D+01 -0.164654D+01  0.307204D+00
      2   0.323571D+01  0.105104D+01 -0.183738D+01  0.259687D+00 -0.111700D+01
      3  -0.258478D+01 -0.164654D+01  0.259687D+00 -0.148610D+01 -0.258068D-01
               176           177           178           179           180 
      1  -0.111700D+01 -0.258068D-01 -0.269188D+01  0.289750D+00 -0.179503D+01
      2   0.716516D+00 -0.244912D+00  0.289750D+00 -0.688699D+00  0.725511D+00
      3  -0.244912D+00  0.118839D+00 -0.179503D+01  0.725511D+00 -0.208968D+01
               181           182           183           184           185 
      1  -0.149909D+01  0.189098D+01  0.542321D+00  0.178905D+01 -0.222120D+01
      2   0.189098D+01 -0.165513D+01 -0.788418D+00 -0.222120D+01  0.850698D+01
      3   0.542321D+00 -0.788418D+00 -0.683137D+00 -0.863902D+00  0.283186D+01
               186           187           188           189           190 
      1  -0.863902D+00  0.760184D+00 -0.174212D+01 -0.129880D+01 -0.413361D+01
      2   0.283186D+01 -0.174212D+01  0.476522D+01  0.300896D+01  0.769088D+00
      3   0.195177D+01 -0.129880D+01  0.300896D+01  0.258204D+01  0.101824D+01
               191           192           193           194           195 
      1   0.769088D+00  0.101824D+01  0.179887D+01 -0.112744D+01 -0.888733D+00
      2  -0.108429D+01 -0.583399D+00 -0.112744D+01  0.189983D+01  0.793696D+00
      3  -0.583399D+00 -0.112949D+01 -0.888733D+00  0.793696D+00  0.936700D+00
               196           197           198           199           200 
      1   0.194908D+01 -0.106503D+01 -0.180556D+01 -0.769001D+01 -0.240690D+01
      2  -0.106503D+01  0.139308D+01  0.726104D+00 -0.240690D+01 -0.182512D+01
      3  -0.180556D+01  0.726104D+00  0.207528D+01 -0.251947D+01 -0.109134D+01
               201           202           203           204           205 
      1  -0.251947D+01 -0.271304D+01 -0.228552D+01 -0.117755D+01 -0.454327D+01
      2  -0.109134D+01 -0.228552D+01 -0.223726D+01 -0.863203D+00 -0.199780D+01
      3  -0.186177D+01 -0.117755D+01 -0.863203D+00 -0.887805D+00 -0.305469D+01
               206           207           208           209           210 
      1  -0.199780D+01 -0.305469D+01  0.126464D+01 -0.854854D+00 -0.500519D+00
      2  -0.101995D+01 -0.118965D+01 -0.854854D+00  0.124668D+01  0.684052D+00
      3  -0.118965D+01 -0.259283D+01 -0.500519D+00  0.684052D+00  0.626025D+00
               211           212           213           214           215 
      1  -0.115663D+01  0.209918D+00  0.407122D+00 -0.101958D+01  0.686737D+00
      2   0.209918D+00 -0.477170D+01 -0.139897D+01  0.686737D+00 -0.248506D+01
      3   0.407122D+00 -0.139897D+01 -0.134741D+01  0.267004D+00 -0.191594D+01
               216           217           218           219           220 
      1   0.267004D+00 -0.423773D+01 -0.295976D+01  0.155409D+01 -0.242934D+01
      2  -0.191594D+01 -0.295976D+01 -0.306609D+01  0.144863D+01 -0.286972D+01
      3  -0.208696D+01  0.155409D+01  0.144863D+01 -0.134427D+01  0.137415D+01
               221           222           223           224           225 
      1  -0.286972D+01  0.137415D+01  0.230521D+01  0.265243D+01 -0.196046D+01
      2  -0.540853D+01  0.182747D+01  0.265243D+01  0.331079D+01 -0.263581D+01
      3   0.182747D+01 -0.155807D+01 -0.196046D+01 -0.263581D+01  0.260553D+01
               226           227           228           229           230 
      1   0.253759D+01 -0.446001D+00  0.336126D+00 -0.175191D+01  0.124221D+01
      2  -0.446001D+00  0.309005D+01 -0.199222D+01  0.124221D+01 -0.375777D+01
      3   0.336126D+00 -0.199222D+01  0.153968D+01 -0.973843D+00  0.142581D+01
               231           232           233           234           235 
      1  -0.973843D+00  0.318256D+00 -0.103743D+01  0.705875D+00 -0.132796D+01
      2   0.142581D+01 -0.103743D+01  0.709670D+00 -0.890287D+00 -0.258022D+00
      3  -0.133052D+01  0.705875D+00 -0.890287D+00  0.174395D+01  0.106765D+01
               236           237           238           239           240 
      1  -0.258022D+00  0.106765D+01  0.527369D+00  0.109636D+01 -0.834992D+00
      2  -0.284211D+00 -0.170440D+00  0.109636D+01  0.187518D+01 -0.208852D+00
      3  -0.170440D+00 -0.154901D+01 -0.834992D+00 -0.208852D+00  0.142679D+01
               241           242           243           244           245 
      1   0.128404D+01  0.241085D+00 -0.131666D+01 -0.213888D+01  0.138671D+01
      2   0.241085D+00  0.126255D+01 -0.282874D+00  0.138671D+01 -0.173270D+01
      3  -0.131666D+01 -0.282874D+00  0.565577D+01 -0.595685D+00  0.102916D+01
               246           247           248           249           250 
      1  -0.595685D+00  0.349826D+01 -0.880253D+00  0.206624D+01 -0.161503D+00
      2   0.102916D+01 -0.880253D+00  0.295487D+01 -0.119906D+01  0.101862D+01
      3  -0.877752D+00  0.206624D+01 -0.119906D+01  0.184620D+01 -0.673675D+00
               251           252           253           254           255 
      1   0.101862D+01 -0.673675D+00  0.212965D+01  0.454749D+00  0.380719D+00
      2  -0.105758D+01  0.907526D+00  0.454749D+00 -0.232840D+00  0.442733D+00
      3   0.907526D+00 -0.174444D+01  0.380719D+00  0.442733D+00  0.978841D+00
               256           257           258           259           260 
      1  -0.109786D+01 -0.635391D+00 -0.225771D+00 -0.138656D+01 -0.213423D+00
      2  -0.635391D+00 -0.109242D+01 -0.122859D+01 -0.213423D+00 -0.116493D+01
      3  -0.225771D+00 -0.122859D+01 -0.187222D+01 -0.624661D+00 -0.120206D+01
               261           262           263           264           265 
      1  -0.624661D+00 -0.523006D+01  0.396692D+00  0.248325D+01 -0.508727D+00
      2  -0.120206D+01  0.396692D+00 -0.200287D+01 -0.177655D+00  0.805970D-01
      3  -0.565259D+01  0.248325D+01 -0.177655D+00 -0.187855D+01  0.824339D+00
               266           267           268           269           270 
      1   0.805970D-01  0.824339D+00  0.162569D+01  0.452592D+00 -0.110265D+01
      2  -0.121843D+01 -0.615404D+00  0.452592D+00 -0.388719D+00 -0.133850D+00
      3  -0.615404D+00 -0.627777D+00 -0.110265D+01 -0.133850D+00  0.176043D+01
               271           272           273           274           275 
      1   0.671174D+00 -0.830761D+00  0.537376D+00 -0.167153D-01  0.842895D+00
      2  -0.830761D+00  0.222987D+01  0.114045D+01  0.842895D+00  0.206762D+00
      3   0.537376D+00  0.114045D+01  0.201274D+01  0.476903D+00  0.305638D+00
               276           277           278           279           280 
      1   0.476903D+00  0.106037D+01 -0.114249D+00  0.410377D+00  0.495628D+01
      2   0.305638D+00 -0.114249D+00  0.149291D+01  0.128264D+01  0.965887D+00
      3   0.641244D+00  0.410377D+00  0.128264D+01  0.565260D+01 -0.237462D+01
               281           282           283           284           285 
      1   0.965887D+00 -0.237462D+01  0.666197D+00  0.437527D+00  0.277197D-02
      2   0.272301D+01 -0.104664D+01  0.437527D+00 -0.618124D+00  0.610207D+00
      3  -0.104664D+01  0.204178D+01  0.277197D-02  0.610207D+00 -0.167290D+00
               286           287           288           289           290 
      1  -0.169566D+01 -0.118359D+00  0.111180D+01 -0.432720D+00 -0.137764D+00
      2  -0.118359D+00  0.517317D+00  0.120502D+00 -0.137764D+00 -0.238983D+01
      3   0.111180D+01  0.120502D+00 -0.172788D+01 -0.912455D+00  0.977643D+00
               291           292           293           294           295 
      1  -0.912455D+00  0.303653D+00 -0.855068D+00  0.314201D+00 -0.104385D+01
      2   0.977643D+00 -0.855068D+00 -0.857091D+00  0.806086D-01  0.138044D-01
      3  -0.211056D+01  0.314201D+00  0.806086D-01  0.102427D+00 -0.727053D+00
               296           297           298           299           300 
      1   0.138044D-01 -0.727053D+00  0.561463D+00  0.109417D+01 -0.152265D+00
      2  -0.151636D+01  0.113631D+01  0.109417D+01  0.139985D+01  0.723701D+00
      3   0.113631D+01 -0.564497D+01 -0.152265D+00  0.723701D+00  0.365913D+00
               301           302           303           304           305 
      1   0.342666D+01  0.101818D+01  0.179704D+01 -0.317046D+00  0.718281D+00
      2   0.101818D+01  0.421757D+01  0.182027D+01  0.718281D+00  0.143688D+01
      3   0.179704D+01  0.182027D+01  0.205869D+01  0.393058D+00  0.108084D+01
               306           307           308           309           310 
      1   0.393058D+00 -0.178772D+01 -0.325065D+00 -0.342728D+00 -0.192472D+01
      2   0.108084D+01 -0.325065D+00  0.500757D+00  0.318121D-01  0.486347D+00
      3   0.172889D+01 -0.342728D+00  0.318121D-01 -0.469161D+00 -0.638836D+00
               311           312           313           314           315 
      1   0.486347D+00 -0.638836D+00  0.147776D+01 -0.131729D+00  0.904297D+00
      2  -0.683005D+00  0.118471D+01 -0.131729D+00  0.107791D+01 -0.100348D+01
      3   0.118471D+01 -0.206822D+01  0.904297D+00 -0.100348D+01  0.564701D+01
               316           317           318           319           320 
      1  -0.186892D+01  0.354202D-01  0.333896D+00 -0.180484D+01 -0.594301D+00
      2   0.354202D-01 -0.200161D+01 -0.154403D+01 -0.594301D+00 -0.489228D+01
      3   0.333896D+00 -0.154403D+01 -0.116022D+01 -0.501321D+00 -0.208333D+01
               321           322           323           324           325 
      1  -0.501321D+00  0.842597D-01 -0.885903D+00 -0.458476D+00  0.104495D+01
      2  -0.208333D+01 -0.885903D+00 -0.125886D+01 -0.103970D+01  0.344880D+00
      3  -0.168013D+01 -0.458476D+00 -0.103970D+01 -0.175173D+01 -0.740381D+00
               326           327           328           329           330 
      1   0.344880D+00 -0.740381D+00  0.146041D+01 -0.124950D+01 -0.108376D+01
      2  -0.102601D+00 -0.420995D+00 -0.124950D+01  0.126109D+01 -0.116570D+00
      3  -0.420995D+00  0.114735D+01 -0.108376D+01 -0.116570D+00  0.177504D+01
               331           332           333 
      1  -0.141420D+01  0.200851D+00  0.135188D+01
      2   0.200851D+00 -0.115401D+01  0.621450D-01
      3   0.135188D+01  0.621450D-01 -0.565230D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.524668D+01 -0.641210D+01 -0.414118D+01 -0.765028D+01  0.299717D+01
      2   0.619417D+01  0.547360D+01  0.623776D+01  0.566537D+01 -0.388502D+01
      3   0.371374D+01 -0.570502D+01  0.147983D+01 -0.515751D+00  0.291297D+01
                 6             7             8             9            10 
      1   0.165674D+01 -0.524744D+01  0.268973D+01  0.102118D+01 -0.558709D+00
      2  -0.170228D+01  0.295750D+01  0.184895D+00 -0.106503D+01 -0.109696D+01
      3   0.947342D+01 -0.357349D+00  0.135687D+02  0.519874D+01 -0.131450D+01
                11            12            13            14            15 
      1   0.492766D+01 -0.179942D+00  0.500122D+01  0.234585D+01 -0.510048D+01
      2  -0.103824D+02 -0.351732D+00 -0.917195D+01 -0.182693D+01  0.600990D+01
      3  -0.488082D+00  0.942151D+01  0.524068D+01 -0.529652D+01 -0.982163D+00
                16            17            18            19            20 
      1  -0.118641D+01 -0.121564D+01 -0.775559D+00  0.337116D+01 -0.979182D+01
      2  -0.104880D+01  0.631612D+01  0.132791D+01  0.198695D+02  0.479444D+01
      3   0.130265D+02 -0.388172D+01 -0.523695D+01 -0.104493D+02  0.777414D+01
                21            22            23            24            25 
      1   0.552709D+01 -0.182691D+02 -0.122068D+01 -0.102839D+02  0.431278D+01
      2   0.414458D+00 -0.188934D+01  0.108929D+01 -0.843316D+01 -0.276163D+02
      3  -0.788252D+01  0.303165D+02  0.532536D+01  0.117290D+02 -0.215631D+01
                26            27            28            29            30 
      1   0.474184D+00 -0.401478D-01 -0.637327D-01  0.667021D+00 -0.627220D-01
      2  -0.105546D+02 -0.191035D+02  0.434369D+00 -0.758994D-01 -0.291029D+01
      3   0.605740D+01  0.315273D+01 -0.257678D+00  0.780502D+01  0.126105D+00
                31            32            33            34            35 
      1   0.591580D+00 -0.480859D-01  0.318245D+01 -0.186120D+00 -0.129416D+02
      2  -0.106988D-01 -0.719640D+00 -0.298805D+00  0.131819D+02 -0.371677D+00
      3  -0.836916D+01  0.379758D+00  0.850519D-01  0.977740D-01 -0.149908D+00
                36            37            38            39            40 
      1  -0.312081D+00  0.938945D+00 -0.148921D+01  0.998413D+01  0.694235D+01
      2   0.207516D+00 -0.840200D+01 -0.151647D+02  0.594990D+01 -0.843945D+01
      3   0.198543D+00 -0.136265D+02 -0.234952D+02  0.910911D+01 -0.788960D+00
                41            42            43            44            45 
      1   0.193950D+02 -0.464694D+01  0.164762D+02  0.220235D+02 -0.183134D+02
      2   0.564036D+01 -0.718613D+01 -0.660488D+01 -0.104525D+02  0.499189D+01
      3   0.194271D+02 -0.108451D+02  0.462367D+01 -0.396949D+01 -0.294501D+01
                46            47            48            49            50 
      1  -0.128348D+01 -0.861082D+01 -0.220918D+01 -0.185321D+02 -0.625957D+01
      2   0.189906D+02 -0.223594D+01 -0.257926D+01  0.182756D+01  0.173068D+00
      3   0.285630D+00  0.900643D+01  0.469659D+01  0.314647D+02  0.519490D+01
                51            52            53            54            55 
      1  -0.129097D+02  0.316313D+01 -0.118049D+01  0.491058D+01 -0.360813D+00
      2   0.522051D+01 -0.297738D+02  0.309062D+01 -0.184356D+02 -0.592240D+01
      3   0.130667D+02  0.841819D+00  0.604774D+01 -0.310148D+01  0.506299D+00
                56            57            58            59            60 
      1   0.240103D+01  0.110650D+01  0.283760D+01 -0.443854D+00 -0.318917D+01
      2   0.102048D+02  0.132197D+01  0.899987D+01  0.318337D+01 -0.692681D+01
      3  -0.135933D+01 -0.891950D+01  0.386670D+01  0.620181D+01 -0.353374D+01
                61            62            63            64            65 
      1   0.129531D+01  0.859509D+00  0.469850D+00  0.585266D+01 -0.279112D+01
      2   0.102110D+01 -0.627470D+01  0.155802D+01  0.101622D+02 -0.302591D+01
      3  -0.115812D+02 -0.724593D+01  0.511434D+01 -0.203922D+01 -0.592188D+01
                66            67            68            69            70 
      1   0.206755D+01 -0.393353D+01 -0.417516D+01  0.172160D+01  0.349837D+01
      2   0.635342D+01 -0.369458D+01 -0.725034D+01  0.375333D+01  0.388905D+01
      3  -0.395927D+01 -0.288402D+00 -0.442129D+01  0.881017D+01 -0.321036D+01
                71            72            73            74            75 
      1   0.360497D+01 -0.761082D+00 -0.122335D+00  0.136080D+00 -0.923219D+01
      2   0.144980D+01 -0.140717D+01 -0.141165D+02  0.107102D+02  0.169533D+01
      3   0.132740D+02 -0.507379D+01  0.177972D+02 -0.138624D+02 -0.611940D+01
                76            77            78            79            80 
      1   0.101504D+02 -0.190612D+02 -0.896532D+01 -0.184623D+02  0.142736D+02
      2   0.654529D+01  0.572115D+01  0.634245D+01 -0.138063D+02  0.124499D+02
      3   0.880144D+01 -0.230833D+02 -0.127421D+02 -0.391702D+01 -0.508751D+01
                81            82            83            84            85 
      1   0.164427D+02 -0.211385D+01  0.229662D+01 -0.577854D+00  0.912565D+00
      2   0.948684D+01 -0.126333D+02 -0.167109D+02  0.137410D+02 -0.621009D+01
      3   0.302321D+01 -0.151650D+02 -0.275804D+02  0.139478D+02 -0.530042D+01
                86            87            88            89            90 
      1   0.186156D+02  0.333081D+01  0.502171D+01  0.274206D+02 -0.163721D+02
      2   0.148306D+00 -0.211767D+01 -0.770389D+00 -0.108433D+02  0.944274D+01
      3   0.938360D+01  0.120321D+01  0.629157D+01 -0.519559D+00  0.290587D+01
                91            92            93            94            95 
      1   0.736190D+01  0.583880D+01  0.682099D+01  0.709208D+01 -0.108496D+02
      2  -0.105846D+01  0.970369D+00  0.100996D+01  0.283791D+00  0.105990D+01
      3  -0.640618D+01 -0.213193D+01 -0.569917D+01  0.308199D+01  0.171444D+00
                96            97            98            99           100 
      1  -0.344090D+01  0.534439D+01 -0.281673D+01  0.155832D+01 -0.883361D+01
      2  -0.102393D+01 -0.261159D+01 -0.282529D+00  0.276057D-01 -0.301095D+01
      3  -0.793139D+01 -0.975002D+01 -0.928996D+01 -0.520114D+01  0.579254D+01
               101           102           103           104           105 
      1   0.966000D+00 -0.569916D+01  0.185202D+01  0.118687D+02 -0.534253D+01
      2  -0.123764D+01 -0.756122D+00 -0.247643D+00  0.370573D+01 -0.116911D+00
      3  -0.808251D+00  0.745947D+01  0.466238D+01  0.680113D+00 -0.601203D+01
               106           107           108           109           110 
      1  -0.368452D+01 -0.384249D+01 -0.152288D+01  0.439716D+01  0.385061D+01
      2  -0.368364D+01 -0.142081D+01 -0.365713D+00 -0.168222D+02  0.136135D+02
      3   0.118214D+02 -0.655695D+01  0.524092D+01  0.214995D+02 -0.196001D+02
               111           112           113           114           115 
      1  -0.355676D+01  0.525324D+01 -0.169390D+02  0.196214D+01 -0.104198D+02
      2   0.123485D+02  0.274442D+01  0.913239D+00  0.651318D+01 -0.661143D+01
      3  -0.139713D+02  0.315559D+01 -0.161410D+02 -0.257070D+01 -0.573257D+01
               116           117           118           119           120 
      1   0.221040D+02  0.136226D+02  0.813697D+00  0.122117D+01 -0.144789D+01
      2   0.166401D+02  0.135358D+02  0.827036D+00  0.134386D+01 -0.516155D+00
      3  -0.231710D+01 -0.309401D+01  0.600327D+01  0.317494D+01 -0.216219D+01
               121           122           123           124           125 
      1   0.531333D+00  0.466027D+01 -0.511937D+01  0.145237D+00 -0.371730D+01
      2   0.809742D+00  0.514143D+01 -0.383949D+01 -0.166959D+01 -0.498990D+01
      3   0.390723D+01  0.127627D+02 -0.527352D+01 -0.371398D+01 -0.864456D+01
               126           127           128           129           130 
      1   0.605515D+01 -0.249677D+01  0.139926D+01  0.338615D+01  0.916780D+00
      2   0.660590D+01 -0.207997D+01  0.248868D+01  0.519973D+01  0.131772D+01
      3   0.489341D+01 -0.499413D+01 -0.246838D+01  0.450056D+00 -0.744869D+00
               131           132           133           134           135 
      1  -0.344475D+00 -0.266391D+01  0.196662D+01 -0.400369D+00 -0.410189D+01
      2  -0.140194D+01 -0.338246D+01  0.473684D+00 -0.192253D+01 -0.586756D+01
      3   0.419482D+01  0.885971D+00  0.365003D+01 -0.371323D+00  0.213598D+00
               136           137           138           139           140 
      1   0.237993D-01 -0.263526D+00 -0.158876D+00 -0.181062D+00 -0.311505D+00
      2  -0.265407D+01 -0.249214D+01  0.352294D+01 -0.336311D+01 -0.540271D+01
      3  -0.570500D+01 -0.388167D+01  0.216835D+01 -0.317054D+01 -0.128455D+02
               141           142           143           144           145 
      1  -0.107387D+01 -0.222374D+00  0.155412D+01 -0.426925D+00  0.778560D+00
      2   0.544276D+01  0.365588D+01  0.509754D+01 -0.899554D+01  0.433146D+01
      3   0.530855D+01  0.357903D+01  0.876021D+01 -0.492973D+01 -0.130393D+01
               146           147           148           149           150 
      1   0.761987D+00  0.129825D+01  0.237956D+00 -0.316696D+00 -0.564875D+00
      2  -0.462617D+00  0.734069D+01 -0.170580D+01  0.501684D-01 -0.127875D+01
      3  -0.544899D+01 -0.293427D+00 -0.374918D+01  0.208952D+01 -0.905248D+00
               151           152           153           154           155 
      1   0.137733D-01  0.150435D+01  0.127486D+01 -0.673068D+01 -0.207334D+01
      2   0.245840D+01 -0.533562D-01  0.703134D+01  0.135552D+01  0.568293D+00
      3   0.290208D+01 -0.230043D+01 -0.224709D+00  0.143686D+02  0.580886D+00
               156           157           158           159           160 
      1  -0.578334D+01 -0.112555D+01 -0.109408D+01 -0.184839D+01 -0.618837D+01
      2   0.267930D+01  0.236611D+00  0.363414D+00  0.393003D+00  0.150303D+00
      3   0.580798D+01  0.118274D+01  0.444118D+01  0.581696D+00  0.955915D+01
               161           162           163           164           165 
      1  -0.195890D+01 -0.884385D+01 -0.147694D+00 -0.291155D+00 -0.648037D+00
      2   0.120677D+01  0.194541D+01  0.631431D-01  0.531854D+00  0.375014D+00
      3   0.108031D+01  0.502176D+01  0.531224D+00  0.382307D+01 -0.960586D+00
               166           167           168           169           170 
      1   0.987788D+00  0.460063D+01 -0.751396D+01 -0.986189D+00 -0.216112D+01
      2   0.717031D+00 -0.782717D+00  0.603282D+00 -0.126123D+01  0.979533D+00
      3   0.564349D+01 -0.130556D+01 -0.279549D-01 -0.149942D+01  0.333396D+01
               171           172           173           174           175 
      1   0.712110D+01  0.649543D+01 -0.675493D+00  0.510721D+01  0.219361D+00
      2  -0.617634D+00  0.325653D+01 -0.449457D+00  0.412329D+01  0.101755D+00
      3   0.262137D+00 -0.140872D+02 -0.155063D+01 -0.565482D+01 -0.104912D+01
               176           177           178           179           180 
      1   0.151347D+00 -0.462720D+00  0.605632D+01 -0.244216D+00  0.801379D+01
      2   0.432830D+00  0.205784D+00  0.205637D+01 -0.118497D+01  0.412683D+01
      3  -0.372454D+01 -0.767443D+00 -0.934838D+01 -0.100523D+01 -0.492731D+01
               181           182           183           184           185 
      1  -0.372573D+00  0.831978D+00  0.230089D+01  0.216967D+01 -0.366088D+01
      2   0.243729D+00 -0.586292D-01  0.114165D+01  0.120449D+00 -0.203015D+01
      3  -0.272278D+01  0.289151D+01  0.957066D+00  0.461953D+01  0.351882D+01
               186           187           188           189           190 
      1  -0.675020D+01  0.168018D+01 -0.148774D+01 -0.671214D+01  0.973750D+00
      2  -0.227075D+01 -0.551585D+00 -0.170225D+01 -0.240384D+01 -0.370049D+01
      3   0.183353D+00  0.562499D+00  0.362264D+01 -0.238598D+00  0.732981D+01
               191           192           193           194           195 
      1  -0.116191D+01 -0.831240D+00 -0.141605D+01  0.923345D+00  0.749996D-01
      2   0.292373D+01  0.476660D+01  0.400881D+01 -0.317138D+01 -0.429478D+01
      3  -0.549905D+01 -0.355659D+01 -0.509456D+01  0.998084D+01  0.434937D+01
               196           197           198           199           200 
      1  -0.157554D+01  0.239378D+01  0.264553D+01 -0.182135D+01  0.587148D-01
      2   0.493821D+01 -0.313187D+01 -0.850486D+01  0.317635D+01  0.140347D+01
      3  -0.616434D+01  0.726802D+01  0.473425D+01  0.332810D+01 -0.397447D+01
               201           202           203           204           205 
      1  -0.278848D+01 -0.784266D+00  0.193424D+00 -0.160411D+01 -0.975437D+00
      2   0.623938D+01  0.253717D+01  0.106226D+01  0.275059D+01  0.213896D+01
      3   0.558873D+00 -0.226000D+01 -0.405928D+01 -0.868447D+00 -0.219025D+01
               206           207           208           209           210 
      1   0.128398D+01 -0.304831D+01 -0.188347D+01  0.257141D+01  0.295938D+01
      2   0.952244D+00  0.651162D+01  0.117669D+01 -0.172503D+01 -0.753358D+00
      3  -0.303250D+01  0.276240D+00 -0.806442D+01  0.448888D+01  0.351013D+01
               211           212           213           214           215 
      1   0.176951D+01 -0.495119D+01 -0.533185D+01  0.149912D+01 -0.465031D+01
      2  -0.135466D+01  0.315673D+01  0.230086D+01 -0.259249D+01  0.335171D+01
      3   0.518017D+01 -0.104606D+02 -0.451986D+01  0.588225D+01 -0.746063D+01
               216           217           218           219           220 
      1  -0.756220D+01  0.208892D+01  0.241199D+01 -0.352642D+01  0.158743D+01
      2   0.487009D+01 -0.693441D+00 -0.197745D+01  0.333871D+01 -0.883221D+00
      3  -0.490444D+01  0.515889D+01 -0.628814D-01 -0.655101D+00  0.169829D+01
               221           222           223           224           225 
      1   0.160624D+01 -0.448954D+01 -0.165996D+01 -0.134876D+01  0.552533D+01
      2  -0.200875D+01  0.355821D+01 -0.572267D+00  0.165976D+01 -0.470332D+01
      3  -0.439606D+01  0.709287D+00 -0.349959D+01 -0.137887D+01 -0.262424D+00
               226           227           228           229           230 
      1   0.518975D+00  0.457419D+01  0.859365D-01  0.938964D+00 -0.167626D+01
      2  -0.638138D+01  0.513376D+01 -0.269373D+01  0.385063D+01 -0.374080D+01
      3  -0.801530D+01  0.716441D+01 -0.436719D+01  0.585321D+01 -0.548011D+01
               231           232           233           234           235 
      1  -0.117141D+01  0.127642D+01 -0.647536D+00  0.125317D+01  0.215350D+01
      2   0.279017D+01 -0.235403D+01  0.145741D+01 -0.242874D+01  0.699098D+00
      3   0.301843D+01 -0.934069D+00  0.141292D+01 -0.290946D+01  0.172834D+01
               236           237           238           239           240 
      1  -0.125319D+01 -0.360247D+01 -0.234652D+01 -0.143839D+01  0.545323D+01
      2   0.241505D+00  0.466357D+00 -0.154830D+01 -0.150346D+01 -0.108430D+00
      3  -0.124525D+01 -0.209072D+01 -0.207638D+01 -0.267402D+01  0.258745D+01
               241           242           243           244           245 
      1  -0.281567D+01  0.119181D+01  0.117965D+02 -0.163334D+01  0.285559D+01
      2  -0.177488D+01 -0.154018D+00 -0.273943D+01  0.316233D+00  0.451656D+00
      3  -0.243551D+01 -0.229152D+00  0.259305D+01  0.235222D+01 -0.440745D+01
               246           247           248           249           250 
      1  -0.158488D+01  0.485861D+01 -0.750703D+01  0.316322D+01 -0.750687D+00
      2   0.159838D+01  0.356619D+01  0.144132D+01 -0.127397D+01  0.440535D+00
      3   0.171873D+01 -0.553446D+01  0.984822D+01 -0.510308D+01  0.121946D+01
               251           252           253           254           255 
      1   0.262204D+01 -0.201568D+01 -0.217637D+01 -0.119113D+01 -0.116698D+01
      2  -0.199086D+01  0.182604D+01 -0.160235D+01 -0.937265D+00 -0.418542D+01
      3  -0.183471D+01  0.290402D+01  0.321405D+01  0.751741D+00  0.196118D+01
               256           257           258           259           260 
      1   0.872785D+00  0.158502D+01  0.814575D+00  0.495351D+00  0.242636D+01
      2  -0.330273D+00  0.243855D+01  0.485272D+01 -0.515868D+00  0.248234D+01
      3  -0.129500D+00 -0.221566D+01 -0.269126D+01 -0.899544D+00 -0.229135D+01
               261           262           263           264           265 
      1   0.498440D+00 -0.506923D+01 -0.276698D+01  0.388716D+01 -0.196300D+01
      2   0.120912D+02  0.660003D+01 -0.454380D+00 -0.123052D+01  0.329414D+01
      3  -0.260419D+01 -0.108820D+02 -0.286905D+01  0.510551D+01 -0.403064D+01
               266           267           268           269           270 
      1  -0.247609D+01  0.640986D+00  0.292779D+01  0.170880D+01 -0.267050D+01
      2  -0.171930D+01 -0.115152D+01 -0.533577D+00 -0.273726D+00  0.341427D-01
      3  -0.961496D+00  0.252332D+01  0.223279D+01  0.526765D+00 -0.278322D+01
               271           272           273           274           275 
      1  -0.856942D+00  0.409250D+00 -0.354737D+01 -0.608192D+00 -0.212600D+00
      2  -0.687519D+00 -0.371640D+01 -0.550361D+01 -0.179421D+01  0.478132D+00
      3  -0.153556D+00  0.317250D+01  0.331540D+01  0.230175D+01 -0.853580D+00
               276           277           278           279           280 
      1  -0.559289D+00 -0.553914D+00  0.472940D+00 -0.826349D+01  0.426484D+01
      2  -0.161710D+00 -0.248141D+01 -0.241185D+01 -0.885298D+01  0.865477D+01
      3   0.497929D+00  0.101988D+01  0.222995D+01  0.258788D+01  0.126726D+02
               281           282           283           284           285 
      1  -0.251447D+01 -0.339512D+01 -0.772284D+00  0.194807D+01 -0.581067D+00
      2   0.167496D+01 -0.204794D+01 -0.151125D+01 -0.129838D+01  0.534467D+00
      3  -0.548683D+00 -0.518411D+01 -0.147518D+01  0.101845D+00  0.100222D+01
               286           287           288           289           290 
      1  -0.299048D+01  0.834184D+00  0.257488D+01  0.129952D+01 -0.250378D+00
      2  -0.129944D+01  0.291873D+00  0.807361D+00 -0.156417D+01  0.310874D+01
      3  -0.213654D+01 -0.150740D+00  0.287699D+01 -0.104187D+01  0.264988D+01
               291           292           293           294           295 
      1   0.481060D+01 -0.771735D+00 -0.341087D+00  0.686641D+00  0.114890D+01
      2  -0.423849D+01  0.108593D+01  0.179631D+01 -0.109326D+01 -0.282521D+01
      3  -0.328987D+01  0.180839D+01  0.215037D+01 -0.331673D+00 -0.156299D+01
               296           297           298           299           300 
      1   0.150117D+00  0.102069D+02 -0.156224D-01  0.684983D+00  0.535305D+00
      2   0.181862D+01 -0.645946D+01  0.136444D+01 -0.217514D+00  0.136243D+01
      3   0.194333D+01 -0.260160D+01 -0.754805D+00 -0.145668D+01 -0.589522D+00
               301           302           303           304           305 
      1   0.309227D+01  0.957637D+01  0.257792D+01  0.241276D+00  0.187315D+01
      2  -0.272740D+01  0.270357D+01  0.248245D+01 -0.807706D-01  0.267159D+01
      3  -0.203732D+01 -0.132534D+02 -0.480389D+01 -0.935625D+00 -0.170215D+01
               306           307           308           309           310 
      1   0.159004D+01  0.239286D+01 -0.172660D+00  0.162857D+01  0.193123D+01
      2   0.227617D+01 -0.110662D+01 -0.182474D+00 -0.248422D+01 -0.269393D+00
      3  -0.306840D+01 -0.304617D+01 -0.658200D+00 -0.123517D+01 -0.149152D+01
               311           312           313           314           315 
      1  -0.203089D+01  0.252824D+01 -0.107214D+01  0.280382D+01 -0.352186D+01
      2   0.209507D+01 -0.533410D+01 -0.207223D+00 -0.190423D+01  0.115494D+02
      3   0.207494D+01 -0.313073D+01  0.139823D+01 -0.201539D+01  0.259787D+01
               316           317           318           319           320 
      1  -0.907636D+00  0.469318D+01  0.705453D+00  0.101849D+01  0.429517D+01
      2  -0.414051D+01 -0.381702D+01 -0.177138D+01 -0.371624D+01 -0.512318D+01
      3   0.434521D+01  0.651117D+01  0.342047D+01  0.555281D+01  0.871450D+01
               321           322           323           324           325 
      1  -0.280007D+00 -0.400753D+00 -0.252643D+00 -0.612979D+00 -0.103081D+01
      2  -0.355570D+01 -0.234342D+01 -0.234944D+01 -0.267056D+01 -0.395990D-01
      3   0.399200D+01  0.872086D+00  0.189567D+01  0.291389D+01 -0.587065D+00
               326           327           328           329           330 
      1  -0.184821D+01  0.192891D+01 -0.341461D+01  0.593691D+00  0.592873D+01
      2  -0.311138D+00  0.966723D+00  0.115510D+01 -0.929487D+00  0.179695D+01
      3  -0.206276D+01  0.137464D+01 -0.290266D+01  0.161147D+01  0.303665D+01
               331           332           333 
      1   0.280473D+01  0.188844D+01 -0.107023D+02
      2  -0.110069D+01  0.173850D+00 -0.563630D+01
      3   0.244484D+01  0.413512D+00 -0.260300D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.339224D+01 -0.236419D+01 -0.446934D+00 -0.331800D+00  0.411439D+01
      2  -0.336586D+01 -0.106695D+01  0.132200D+02  0.242482D+00 -0.100297D+02
      3  -0.263794D-01  0.343114D+01 -0.127731D+02  0.893188D-01  0.591530D+01
      4  -0.613718D+01 -0.135439D+02  0.178782D+02 -0.813670D+01 -0.131000D+02
      5   0.674052D+01  0.138864D+02 -0.342157D+01  0.138088D+02  0.540316D+01
      6   0.942852D+01  0.173111D+02 -0.756878D+00  0.166605D+02  0.660587D+00
                 6             7             8             9            10 
      1   0.152615D+02 -0.382480D+01  0.161021D+02  0.702600D+01 -0.179574D+02
      2  -0.930558D+01  0.155483D+02 -0.101793D+02 -0.108989D+02  0.116588D+02
      3  -0.595590D+01 -0.117235D+02 -0.592280D+01  0.387291D+01  0.629857D+01
      4   0.143694D+02  0.213291D+02  0.200665D+02 -0.804596D+01 -0.121566D+02
      5  -0.813108D+01 -0.325032D+01 -0.101178D+02  0.197380D+01 -0.128155D+02
      6  -0.958508D+01 -0.253390D+01 -0.144433D+02  0.142579D+01 -0.942764D+01
                11            12            13            14            15 
      1  -0.870345D+00 -0.536312D+01 -0.470674D+01 -0.382337D+01 -0.206048D+02
      2   0.265094D+01 -0.370057D+01  0.305748D+01  0.438017D+01  0.988584D+01
      3  -0.178059D+01  0.906369D+01  0.164926D+01 -0.556801D+00  0.107190D+02
      4  -0.438160D+01 -0.209346D+02 -0.956429D+01  0.112038D+01 -0.652027D+01
      5  -0.189309D+02 -0.112104D+02 -0.196852D+02 -0.395291D-01  0.148634D+01
      6  -0.742129D+01 -0.592247D+01 -0.725304D+01  0.451703D+00 -0.158209D+01
                16            17            18            19            20 
      1  -0.816102D+01 -0.236191D+02 -0.136727D+02  0.646527D+01  0.179519D+01
      2  -0.470276D+00  0.139497D+02  0.985712D+01 -0.455370D+01 -0.610133D+01
      3   0.863129D+01  0.966941D+01  0.381553D+01 -0.191157D+01  0.430615D+01
      4  -0.264119D+02 -0.646579D+01 -0.220842D+01  0.146912D+02 -0.723239D+00
      5  -0.167172D+02  0.131493D+01 -0.172041D+01  0.873172D+01  0.110716D+02
      6  -0.627456D+01 -0.714693D+00 -0.143602D+01  0.349945D+01 -0.610183D+00
                21            22            23            24            25 
      1   0.276602D+01  0.403026D+01 -0.342220D+01  0.115210D+02 -0.683328D+00
      2  -0.159738D+01 -0.527189D+01  0.312312D+01 -0.165294D+01 -0.603351D+00
      3  -0.116864D+01  0.124162D+01  0.299081D+00 -0.986802D+01  0.128668D+01
      4   0.127343D+02  0.340531D+01  0.669638D+01  0.101852D+01  0.655381D+01
      5   0.555610D+01  0.103889D+02 -0.412899D+01  0.115018D+01  0.324775D+01
      6   0.407673D+01 -0.163010D+01  0.145820D+01 -0.254613D+01  0.261048D+01
                26            27            28            29            30 
      1   0.101531D+02  0.657907D+01 -0.116899D+02  0.195904D+00  0.504300D+01
      2  -0.246909D+01  0.752358D+00  0.174214D+01 -0.849538D-01 -0.500841D+01
      3  -0.768397D+01 -0.733143D+01  0.994775D+01 -0.110950D+00 -0.345852D-01
      4  -0.164273D+00 -0.496307D+00  0.245466D+00 -0.650351D+01  0.217947D+01
      5  -0.832924D+00 -0.333516D+01  0.293047D+01  0.130957D+01 -0.190717D+01
      6  -0.178987D+01 -0.549562D+01  0.114335D+01 -0.289858D+01 -0.462481D-01
                31            32            33            34            35 
      1  -0.340506D+00  0.189094D+01  0.190510D+01  0.738036D+01  0.308104D+01
      2   0.281445D+00 -0.119823D+02 -0.188685D+01 -0.737058D+01 -0.310080D+01
      3   0.590614D-01  0.100914D+02 -0.182526D-01 -0.977892D-02  0.197654D-01
      4  -0.674923D+01 -0.835723D-01 -0.508805D+01  0.320587D+01 -0.737824D+01
      5   0.102947D+01 -0.291169D+01 -0.454004D-01  0.486067D+01 -0.302495D-01
      6  -0.297710D+01 -0.102783D+01 -0.196433D+01 -0.400466D-01  0.487786D+01
                36            37            38            39            40 
      1   0.370252D+00  0.364439D+01 -0.289003D+01 -0.110258D+01 -0.591853D+01
      2   0.384314D+00 -0.520382D+01  0.260185D+01 -0.873849D+01  0.264868D+01
      3  -0.754566D+00  0.155943D+01  0.288181D+00  0.984107D+01  0.326986D+01
      4   0.122324D-01  0.681541D+01  0.772077D+01 -0.735022D+01  0.394096D+01
      5   0.147525D-01 -0.158073D+01 -0.233307D+01 -0.635061D+00 -0.345274D+01
      6   0.499944D-01 -0.191740D+01 -0.120584D+02  0.290011D+01 -0.124022D+02
                41            42            43            44            45 
      1   0.619748D+01 -0.507675D+01  0.889494D+00 -0.311835D+01  0.920293D+00
      2  -0.292185D+01  0.653804D+01 -0.801007D+01  0.626445D+01  0.648258D+01
      3  -0.327563D+01 -0.146128D+01  0.712058D+01 -0.314610D+01 -0.740288D+01
      4   0.132485D+02 -0.105820D+02 -0.497840D+01 -0.486072D+01  0.125403D+01
      5  -0.446918D+01  0.578881D+01 -0.896550D+00  0.382654D+01  0.613823D+01
      6  -0.124471D+01  0.368002D+01  0.474249D+00  0.262550D+01  0.165867D+01
                46            47            48            49            50 
      1   0.141051D+02  0.248221D+01  0.114908D+02 -0.165496D+01 -0.713118D-01
      2  -0.136441D+02  0.199593D+01 -0.786263D+01  0.313385D+01  0.118675D+01
      3  -0.461021D+00 -0.447814D+01 -0.362820D+01 -0.147889D+01 -0.111543D+01
      4  -0.964800D+01 -0.317139D+01 -0.913007D+01  0.303521D-01 -0.803543D+01
      5   0.137352D+02 -0.609891D+01  0.649366D+01 -0.515805D+01 -0.760729D+01
      6   0.659038D+00 -0.268394D+01 -0.174495D+01 -0.348282D+01 -0.415980D+01
                51            52            53            54            55 
      1  -0.867760D+01  0.532822D+01 -0.854408D+01  0.619160D+01 -0.240980D+02
      2  -0.546165D+00 -0.453819D+01  0.829787D+00  0.108774D+01  0.179807D+02
      3   0.922377D+01 -0.790031D+00  0.771430D+01 -0.727934D+01  0.611732D+01
      4  -0.485542D+01 -0.490354D+01 -0.455773D+01  0.178273D+01  0.538871D+01
      5   0.117495D+01  0.369385D+01  0.208090D+01 -0.440377D+01 -0.239868D+02
      6  -0.338064D+01 -0.119671D+01 -0.197381D+01  0.450889D+01  0.655733D+01
                56            57            58            59            60 
      1  -0.290564D+01 -0.206074D+02  0.353387D+01 -0.111179D+01  0.170790D+02
      2  -0.458723D+00  0.913486D+01 -0.348106D+01  0.113193D+01 -0.907625D+01
      3   0.336436D+01  0.114726D+02 -0.528098D-01 -0.201427D-01 -0.800274D+01
      4  -0.141890D+01  0.168705D+02 -0.440964D+01 -0.484275D+01  0.638608D+01
      5   0.140108D+02 -0.120641D+02  0.144983D+02  0.935063D+01 -0.409304D+01
      6  -0.453647D+00  0.324941D+01 -0.224024D+00 -0.108837D+01 -0.112475D+01
                61            62            63            64            65 
      1  -0.259630D+02  0.182784D+02 -0.132012D+02 -0.328134D+01  0.916827D+01
      2   0.152433D+02 -0.111768D+02  0.935402D+01  0.201558D+01 -0.448713D+01
      3   0.107197D+02 -0.710167D+01  0.384715D+01  0.126575D+01 -0.468114D+01
      4   0.194441D+02  0.892305D+01 -0.368718D+01  0.123977D+02 -0.121058D+02
      5  -0.169235D+02 -0.542044D+01 -0.205606D+01  0.173244D+02 -0.145319D+02
      6   0.208310D+01 -0.607433D+00  0.947109D+00 -0.131976D+02  0.948891D+01
                66            67            68            69            70 
      1   0.141947D+02  0.418548D+01  0.219009D+00 -0.177032D+02  0.136554D+02
      2  -0.358080D+00 -0.282137D+01 -0.488638D+01  0.151527D+02 -0.919102D+00
      3  -0.138366D+02 -0.136411D+01  0.466737D+01  0.255051D+01 -0.127363D+02
      4  -0.198491D+02 -0.776685D+01  0.991887D+01  0.147761D+01 -0.253292D+02
      5  -0.592271D+01 -0.144274D+02 -0.307752D+01  0.903818D+01 -0.697932D+01
      6   0.164635D+01  0.894553D+01  0.649381D+01 -0.701127D+01  0.442032D+01
                71            72            73            74            75 
      1  -0.213792D+02  0.188441D+01  0.604069D+01 -0.283113D+01 -0.750943D+01
      2   0.186455D+02 -0.570170D+01 -0.815815D+01  0.176810D+01 -0.169043D+01
      3   0.273377D+01  0.381729D+01  0.211747D+01  0.106303D+01  0.919986D+01
      4   0.458397D+01  0.111986D+02 -0.732549D+01  0.864352D+01  0.960007D+01
      5   0.118201D+02  0.211923D+01 -0.511114D+01  0.520874D+01  0.171248D+01
      6  -0.104775D+02 -0.811441D+00  0.689520D+01 -0.928387D+01 -0.337060D+01
                76            77            78            79            80 
      1   0.188489D+01  0.121150D+02  0.781028D+01 -0.311507D+01  0.423214D+01
      2  -0.462252D-01 -0.833584D+01 -0.117346D+02 -0.299095D+01 -0.918983D+01
      3  -0.183867D+01 -0.377920D+01  0.392432D+01  0.610602D+01  0.495769D+01
      4   0.585939D+01 -0.551067D+01 -0.398935D+01  0.639789D+01 -0.276459D+00
      5   0.630134D+01 -0.156643D+01 -0.626893D+01  0.340950D+00 -0.441434D+01
      6  -0.931300D+01 -0.528296D+01  0.124192D+01 -0.105475D+01  0.122207D+01
                81            82            83            84            85 
      1   0.189058D+01 -0.290857D+01 -0.868252D+00  0.641315D+01 -0.353325D+01
      2   0.548045D+01  0.554752D+01  0.165451D+01  0.158874D+01  0.736983D+01
      3  -0.737102D+01 -0.263895D+01 -0.786253D+00 -0.800190D+01 -0.383658D+01
      4  -0.237895D+01 -0.793359D+01  0.705526D+00  0.674331D+01 -0.739569D+00
      5   0.637913D+01  0.759951D+01  0.146191D+01 -0.277154D+01  0.888007D+00
      6  -0.104589D+00  0.730271D+01 -0.146393D+01  0.363915D+01 -0.410520D+00
                86            87            88            89            90 
      1  -0.162397D+02  0.967991D+01  0.396303D+01  0.544435D+01  0.248878D+01
      2   0.152806D+02 -0.157173D+02  0.343635D+01 -0.836065D+01  0.490166D+01
      3   0.959042D+00  0.603742D+01 -0.739938D+01  0.291630D+01 -0.739045D+01
      4  -0.744201D+00  0.126221D+01  0.640027D+01  0.988663D-01  0.277734D+01
      5  -0.570460D+01  0.784803D+00 -0.129504D+01  0.146365D+00 -0.318723D+01
      6  -0.140162D+02  0.581641D+01  0.347299D+01  0.301693D+01  0.547585D+01
                91            92            93            94            95 
      1  -0.182514D+01  0.217471D+00 -0.192226D+00  0.384894D+01  0.183775D+02
      2   0.666724D+00 -0.148470D+01 -0.453428D+01 -0.841675D+01 -0.233247D+02
      3   0.115841D+01  0.126723D+01  0.472651D+01  0.456781D+01  0.494713D+01
      4  -0.574243D+01 -0.201670D+01 -0.135153D+02 -0.157562D+01 -0.497842D+01
      5  -0.302177D+01 -0.277907D+01 -0.214602D+01 -0.246615D+01  0.180594D+01
      6  -0.139117D+02 -0.351341D+01 -0.686012D+01 -0.314118D+01  0.298556D+02
                96            97            98            99           100 
      1  -0.163493D+02 -0.140129D+01 -0.228823D+02  0.592255D+01 -0.303530D+01
      2   0.297126D+02 -0.260629D+01  0.352476D+02 -0.978405D+01  0.113941D+00
      3  -0.133633D+02  0.400758D+01 -0.123653D+02  0.386151D+01  0.292136D+01
      4  -0.355416D+01 -0.159630D+02 -0.204775D+01 -0.906301D+01  0.674855D+01
      5   0.504223D+00 -0.255745D+01 -0.186696D+01 -0.387010D+00 -0.708763D+01
      6  -0.110008D+02 -0.946366D+01 -0.149185D+02  0.229307D+01  0.112556D+02
               101           102           103           104           105 
      1  -0.320009D+01 -0.107232D+02 -0.660297D+01  0.115771D+02  0.126123D+02
      2   0.489109D+01  0.954456D+01  0.117634D+02 -0.147039D+02 -0.265716D+02
      3  -0.169100D+01  0.117865D+01 -0.516044D+01  0.312688D+01  0.139593D+02
      4  -0.421723D+01  0.103112D+02 -0.653016D+01  0.123074D+02  0.110337D+02
      5  -0.689096D+00 -0.424536D+01 -0.117884D+01  0.971347D+01  0.120153D+01
      6   0.775182D+01  0.863550D+01  0.797912D+01 -0.266886D+02 -0.878026D+01
               106           107           108           109           110 
      1  -0.141266D+02  0.170696D+02  0.458564D+00 -0.763790D+01  0.232274D+01
      2   0.133830D+02 -0.300279D+02 -0.431401D+01  0.111929D+02 -0.192723D+01
      3   0.743581D+00  0.129583D+02  0.385544D+01 -0.355502D+01 -0.395509D+00
      4   0.105296D+02  0.157273D+02  0.117828D+02  0.327046D+01  0.409998D+01
      5  -0.615008D+01  0.417344D+01  0.227188D+00  0.853251D+01  0.370206D+01
      6   0.118115D+02 -0.113493D+02 -0.231066D+01 -0.340926D+01 -0.584991D+01
               111           112           113           114           115 
      1   0.113398D+02  0.479112D+01 -0.132342D+02 -0.587600D+01  0.777400D+01
      2  -0.513784D+01 -0.750152D+01  0.114795D+02  0.138214D+02 -0.146298D+01
      3  -0.620193D+01  0.271039D+01  0.175469D+01 -0.794538D+01 -0.631102D+01
      4  -0.308750D+01  0.473203D+01 -0.546210D+01 -0.610986D+01 -0.449902D+01
      5  -0.103811D+01  0.387819D+01 -0.821337D+01 -0.252712D+01 -0.915116D-01
      6  -0.551037D+01 -0.465860D+01  0.102699D+02  0.413859D+01 -0.427719D+01
               116           117           118           119           120 
      1  -0.270684D+01  0.404651D+01 -0.403179D+01 -0.703486D+01  0.182281D+01
      2   0.738737D+01  0.333489D+01  0.488993D+01  0.654812D+01 -0.290363D+01
      3  -0.468053D+01 -0.738140D+01 -0.858142D+00  0.486746D+00  0.108082D+01
      4  -0.455137D+01 -0.297714D+01 -0.200580D+01  0.355788D+01  0.124985D+00
      5  -0.810068D+00 -0.159379D+01  0.482021D+00  0.137839D+01  0.658115D+00
      6   0.180283D+01 -0.615297D+01 -0.181419D+01 -0.220488D+01  0.134585D+01
               121           122           123           124           125 
      1  -0.578218D+01 -0.151946D+02  0.663957D+01  0.369498D+01  0.109176D+02
      2   0.160042D+01  0.281505D+02 -0.967588D+01 -0.168232D+01 -0.149958D+02
      3   0.418176D+01 -0.129559D+02  0.303631D+01 -0.201266D+01  0.407823D+01
      4   0.849045D+01 -0.201068D+02  0.532568D+01 -0.250663D+01  0.104901D+02
      5   0.182970D+00  0.656485D+01 -0.641271D+01  0.304016D+01 -0.873929D+01
      6  -0.687018D+00 -0.104532D+02  0.900642D+01 -0.127127D+01  0.121067D+02
               126           127           128           129           130 
      1  -0.628791D+01  0.343114D+02 -0.131661D+02 -0.107390D+02 -0.718087D+01
      2   0.744060D+01 -0.136883D+02  0.872035D+00  0.443979D+01 -0.347801D+01
      3  -0.115268D+01 -0.206231D+02  0.122941D+02  0.629922D+01  0.106589D+02
      4  -0.731257D+01 -0.332850D+02  0.231451D+02  0.138775D+02  0.222110D+02
      5   0.922334D+01 -0.202662D+02  0.112699D+02  0.141927D+02  0.918003D+01
      6  -0.113270D+02  0.105124D+02 -0.688051D+01 -0.720607D+01 -0.756670D+01
               131           132           133           134           135 
      1   0.435331D+01  0.267603D+01 -0.136193D+02  0.613416D+01  0.626967D+01
      2   0.702100D+01  0.108703D+01  0.624818D+01 -0.119514D+01 -0.396687D+01
      3  -0.113743D+02 -0.376306D+01  0.737108D+01 -0.493902D+01 -0.230279D+01
      4  -0.234158D+02 -0.103608D+02  0.197947D+02 -0.157999D+02 -0.155252D+02
      5  -0.912888D+01 -0.756349D+01  0.192807D+02 -0.131579D+02 -0.182078D+02
      6   0.747480D+01  0.775450D+01 -0.109884D+02  0.110662D+02  0.118404D+02
               136           137           138           139           140 
      1   0.222648D+02  0.861954D+01 -0.460186D+01  0.151414D+02  0.739945D+01
      2  -0.128598D+02 -0.445578D+01  0.310493D+01 -0.737171D+01 -0.287477D+01
      3  -0.940495D+01 -0.416376D+01  0.149693D+01 -0.776967D+01 -0.452469D+01
      4   0.780491D+01  0.708256D+01 -0.406098D+01  0.100225D+02  0.181892D+02
      5  -0.551302D+01 -0.421526D+01  0.741674D+01 -0.601827D+01 -0.843710D+01
      6  -0.136000D+01 -0.759144D+00  0.256355D+00 -0.991283D+00 -0.229158D+01
               141           142           143           144           145 
      1  -0.522481D+01 -0.114091D+02 -0.642689D+01  0.787683D+01  0.646403D+02
      2   0.239414D+01  0.704998D+01  0.500148D+01 -0.675792D+01 -0.371710D+02
      3   0.283068D+01  0.435916D+01  0.142541D+01 -0.111891D+01 -0.274692D+02
      4  -0.744760D+01 -0.716402D+01 -0.110826D+02  0.684087D+01 -0.161033D+02
      5   0.800744D+01  0.125293D+02  0.827939D+01 -0.145985D+02  0.290637D+02
      6   0.227907D+01  0.759391D+00  0.254902D+01 -0.144245D+01 -0.625826D+01
               146           147           148           149           150 
      1  -0.650099D+01  0.206426D+02 -0.827049D+01  0.794276D+01 -0.353620D+01
      2   0.261400D+01 -0.135407D+02  0.275010D+01 -0.336928D+01  0.167500D+01
      3   0.388699D+01 -0.710192D+01  0.552039D+01 -0.457348D+01  0.186120D+01
      4   0.101756D+02 -0.609295D+01  0.153423D+02 -0.707889D+01  0.481630D+01
      5  -0.465364D+01  0.183945D+02 -0.569118D+01  0.440065D+01 -0.311934D+01
      6   0.192656D+01 -0.347196D+01  0.389186D+01 -0.194995D+01  0.362042D+01
               151           152           153           154           155 
      1   0.293523D+02 -0.381528D+01  0.166533D+02  0.614767D+01 -0.439419D+01
      2  -0.206941D+02  0.204187D+01 -0.143468D+02  0.165879D+01  0.126417D+02
      3  -0.865818D+01  0.177341D+01 -0.230649D+01 -0.780646D+01 -0.824750D+01
      4  -0.982824D+01  0.446368D+01 -0.522506D+01  0.241982D+02  0.118951D+02
      5   0.272119D+02 -0.309552D+01  0.212099D+02  0.552175D+01  0.172629D+01
      6  -0.530403D+01  0.312722D+01 -0.459347D+01  0.984732D+01  0.416807D+01
               156           157           158           159           160 
      1   0.179325D+01 -0.365960D+01 -0.523430D+01 -0.104952D+01  0.954553D+00
      2   0.131487D+01  0.829416D+01  0.113413D+02  0.167866D+01  0.148465D+01
      3  -0.310812D+01 -0.463457D+01 -0.610696D+01 -0.629133D+00 -0.243920D+01
      4   0.956849D+01  0.686933D+01  0.102818D+02  0.285208D+01  0.148990D+02
      5   0.480800D+01  0.974240D+00  0.182279D+01  0.893115D+00  0.561069D+01
      6   0.884439D+01  0.236715D+01  0.280468D+01  0.483519D+01  0.102843D+02
               161           162           163           164           165 
      1  -0.249031D+01 -0.223263D+01 -0.406437D+01  0.354287D+00  0.145444D+00
      2   0.622450D+01  0.333082D+01  0.778087D+01  0.632040D+00 -0.237485D+00
      3  -0.373419D+01 -0.109820D+01 -0.371650D+01 -0.986326D+00  0.920416D-01
      4   0.690880D+01  0.971101D+01  0.212310D+01  0.130459D+02 -0.366903D+01
      5   0.259873D+01  0.529087D+01 -0.176070D+00 -0.265902D+01  0.297936D+01
      6   0.948660D+01  0.137662D+02 -0.358654D+01 -0.641682D+00  0.110722D+01
               166           167           168           169           170 
      1  -0.217607D+01 -0.403276D+02  0.147291D+02  0.210171D+01  0.223967D+02
      2   0.474856D+01  0.685693D+02 -0.220641D+02 -0.269273D+01 -0.311858D+02
      3  -0.257248D+01 -0.282417D+02  0.733501D+01  0.591024D+00  0.878905D+01
      4   0.910991D+01  0.666601D+01 -0.256548D+01 -0.344960D+01 -0.349116D+01
      5  -0.101341D+01 -0.728997D+00  0.740835D+00  0.267133D+01  0.139037D+01
      6  -0.212803D+01 -0.308226D+02  0.190033D+02  0.363002D+01  0.276282D+02
               171           172           173           174           175 
      1  -0.148238D+02  0.173217D+02  0.147853D+01  0.630322D+01  0.357559D+01
      2   0.171161D+02 -0.643504D+01 -0.831305D+01 -0.308959D+01 -0.684623D+01
      3  -0.229226D+01 -0.108867D+02  0.683452D+01 -0.321363D+01  0.327064D+01
      4   0.339586D+01 -0.252899D+02  0.110998D+02 -0.878572D+01  0.564845D+01
      5  -0.115680D+01  0.851070D+01 -0.126696D+01  0.716358D+01 -0.883815D-01
      6  -0.216536D+02 -0.909266D+01  0.184997D+01 -0.819773D+01  0.371148D+00
               176           177           178           179           180 
      1   0.379683D+00  0.945757D+00  0.826182D+01  0.323822D+00  0.278124D+01
      2   0.287511D+01 -0.800950D+00 -0.487356D+01 -0.329412D+01 -0.165620D+01
      3  -0.325479D+01 -0.144806D+00 -0.338826D+01  0.297030D+01 -0.112505D+01
      4  -0.801919D+01  0.107614D+01 -0.147814D+02  0.453448D+01 -0.978934D+01
      5   0.160974D+01 -0.369510D+00  0.895658D+01 -0.284424D+01  0.855351D+01
      6  -0.125437D+01  0.252197D+01 -0.103525D+02  0.612306D+01 -0.119308D+02
               181           182           183           184           185 
      1  -0.171323D+01  0.512489D+00  0.117810D+01  0.469313D+01 -0.306223D+02
      2   0.792900D+01 -0.723510D+01 -0.311150D+01 -0.130847D+02  0.564767D+02
      3  -0.621577D+01  0.672261D+01  0.193340D+01  0.839155D+01 -0.258544D+02
      4  -0.117778D+02  0.169046D+02  0.600844D+01  0.151654D+02 -0.256402D+02
      5  -0.262000D+01  0.425427D+01  0.445393D+01  0.309801D+01 -0.699525D+01
      6   0.552977D+01 -0.622708D+01 -0.491792D+01 -0.815113D+01  0.274901D+02
               186           187           188           189           190 
      1  -0.111262D+02  0.449455D+01 -0.166305D+02 -0.110995D+02  0.309761D+02
      2   0.181966D+02 -0.730631D+01  0.250023D+02  0.134143D+02 -0.188705D+02
      3  -0.707045D+01  0.281176D+01 -0.837180D+01 -0.231481D+01 -0.121057D+02
      4  -0.100864D+02  0.813216D+01 -0.146612D+02 -0.108165D+02 -0.343701D+00
      5  -0.455656D+01  0.550757D+01 -0.723237D+01 -0.661808D+01 -0.825690D+01
      6   0.175064D+02 -0.944276D+01  0.247885D+02  0.206157D+02 -0.346786D+00
               191           192           193           194           195 
      1  -0.671526D+01 -0.778242D+01 -0.139257D+02  0.946025D+01  0.688700D+01
      2   0.472373D+01  0.576158D+01  0.839761D+01 -0.723708D+01 -0.431319D+01
      3   0.199153D+01  0.202083D+01  0.552811D+01 -0.222317D+01 -0.257382D+01
      4   0.644221D+01  0.288728D+01  0.692990D+01 -0.103315D+02 -0.377436D+01
      5   0.439160D+01  0.908590D+01  0.637643D+01 -0.581587D+01 -0.605445D+01
      6   0.190972D+00  0.152443D+01  0.419109D+00  0.227231D+00  0.579785D+00
               196           197           198           199           200 
      1  -0.157949D+02  0.782982D+01  0.104699D+02  0.469080D+02  0.122451D+02
      2   0.113991D+02 -0.731451D+01 -0.919907D+01 -0.232522D+02 -0.336738D+01
      3   0.439584D+01 -0.515306D+00 -0.127082D+01 -0.236558D+02 -0.887772D+01
      4   0.374549D+01 -0.590148D+01 -0.212261D+01  0.303459D+02  0.166435D+02
      5   0.142693D+02 -0.503535D+01 -0.144182D+02  0.228674D+02  0.893929D+01
      6   0.224425D+01  0.954998D+00 -0.234111D+01  0.106821D+02  0.503749D+01
               201           202           203           204           205 
      1   0.146911D+02  0.112913D+02  0.690609D+01  0.469812D+01  0.203704D+02
      2  -0.833131D+01 -0.815842D+00  0.138232D+01 -0.106506D+01 -0.123885D+02
      3  -0.635981D+01 -0.104755D+02 -0.828842D+01 -0.363306D+01 -0.798193D+01
      4   0.117624D+02  0.215902D+02  0.174558D+02  0.885145D+01  0.188820D+02
      5   0.157504D+02  0.955132D+01  0.740613D+01  0.630565D+01  0.236161D+02
      6   0.665169D+01  0.723555D+01  0.571909D+01  0.617718D+01  0.106807D+02
               206           207           208           209           210 
      1   0.661095D+01  0.121256D+02 -0.707337D+01  0.828483D+01  0.364255D+01
      2  -0.264226D+01 -0.982359D+01  0.763270D+01 -0.109833D+02 -0.538969D+01
      3  -0.396868D+01 -0.230202D+01 -0.559330D+00  0.269845D+01  0.174714D+01
      4   0.105344D+02  0.121277D+02 -0.369599D+01  0.383188D+01  0.987150D+00
      5   0.842428D+01  0.193861D+02  0.491369D+00 -0.155787D+01 -0.124422D-01
      6   0.671793D+01  0.982153D+01  0.348146D+01 -0.460354D+01 -0.369561D+01
               211           212           213           214           215 
      1   0.509208D+01 -0.197305D+02 -0.753950D+01  0.582917D+01 -0.134328D+02
      2  -0.412987D+01  0.330540D+02  0.102318D+02 -0.488637D+01  0.179320D+02
      3  -0.962211D+00 -0.133235D+02 -0.269234D+01 -0.942798D+00 -0.449918D+01
      4   0.651773D+01  0.103174D+02  0.934506D+00  0.279491D+01  0.360329D+01
      5  -0.824357D+00  0.330835D+01  0.404107D+01  0.117413D+01  0.586401D+01
      6  -0.287003D+01  0.104100D+02  0.971019D+01 -0.163681D+01  0.139913D+02
               216           217           218           219           220 
      1  -0.900347D+01  0.141352D+02  0.636370D+01 -0.347202D+01  0.159672D+01
      2   0.101593D+02  0.168733D+00  0.667789D+01 -0.173225D+01  0.979852D+01
      3  -0.115582D+01 -0.143040D+02 -0.130416D+02  0.520427D+01 -0.113952D+02
      4   0.298715D+01  0.285644D+02  0.259224D+02 -0.129989D+02  0.225125D+02
      5   0.606169D+01 -0.123507D+02 -0.106316D+02  0.101417D+02 -0.839393D+01
      6   0.133609D+02 -0.102854D+02 -0.980054D+01  0.782341D+01 -0.984760D+01
               221           222           223           224           225 
      1  -0.628313D+01  0.162839D+01 -0.311514D+01  0.128666D+01 -0.208890D+01
      2   0.238295D+02 -0.685519D+01 -0.292445D+01 -0.806939D+01  0.438348D+01
      3  -0.175463D+02  0.522681D+01  0.603959D+01  0.678272D+01 -0.229458D+01
      4   0.317389D+02 -0.131029D+02 -0.177026D+02 -0.209292D+02  0.160685D+02
      5  -0.114943D+02  0.816810D+01  0.128249D+02  0.136835D+02 -0.146773D+02
      6  -0.145626D+02  0.117627D+02  0.114406D+02  0.175853D+02 -0.161658D+02
               226           227           228           229           230 
      1  -0.578319D+01  0.921079D+01 -0.676478D+01  0.623304D+01 -0.134112D+02
      2   0.523953D+01 -0.899353D+01  0.417557D+01 -0.517921D+01  0.172637D+02
      3   0.543662D+00 -0.217254D+00  0.258921D+01 -0.105383D+01 -0.385256D+01
      4  -0.106899D+02  0.306205D+01 -0.224173D+01  0.697294D+01 -0.459892D+01
      5   0.357805D+01 -0.216103D+01  0.139866D+01 -0.169747D+01  0.209670D+01
      6  -0.459642D+01  0.116326D+02 -0.837179D+01  0.558042D+01 -0.127567D+02
               231           232           233           234           235 
      1   0.764316D+01 -0.275099D+01  0.546750D+01 -0.704601D+01  0.161688D+01
      2  -0.625230D+01  0.134810D+01 -0.226102D+01  0.133262D+01 -0.486075D+01
      3  -0.139086D+01  0.140289D+01 -0.320648D+01  0.571339D+01  0.324387D+01
      4   0.338585D+01 -0.827671D+00  0.367140D+01 -0.320690D+01  0.276674D+01
      5  -0.545702D+00  0.192464D+01 -0.103173D+01  0.348034D+00 -0.609372D+01
      6   0.924468D+01 -0.429927D+01  0.705519D+01 -0.855459D+01 -0.203645D+01
               236           237           238           239           240 
      1   0.250315D+00 -0.558894D+00 -0.263171D+00 -0.790430D-01 -0.126017D+01
      2   0.794472D+00  0.674274D+01  0.146782D+01 -0.370940D+01 -0.587925D+01
      3  -0.104479D+01 -0.618385D+01 -0.120465D+01  0.378845D+01  0.713942D+01
      4   0.238110D+01 -0.145464D+01 -0.212724D+01 -0.557528D+01  0.813507D+00
      5  -0.248141D+00  0.890990D+01  0.216569D+01 -0.140805D+00 -0.442244D+01
      6  -0.111616D+00  0.307128D+01  0.190994D+01  0.256048D+01 -0.452777D+00
               241           242           243           244           245 
      1   0.376172D+00  0.212366D+01 -0.106967D+02  0.100269D+02 -0.378076D+01
      2   0.496487D+01 -0.273679D+01 -0.174518D+02 -0.615416D+01  0.353911D+01
      3  -0.534104D+01  0.613127D+00  0.281485D+02 -0.387276D+01  0.241646D+00
      4  -0.311964D+01 -0.282905D+01  0.185617D+00 -0.766086D+01  0.784930D+01
      5   0.684924D+01  0.539764D+00 -0.154706D+02  0.719567D+01 -0.589073D+01
      6   0.254647D+01  0.440663D+01 -0.129089D+02 -0.323028D+01  0.269552D+01
               246           247           248           249           250 
      1   0.283957D+01 -0.916669D+01  0.236019D+01 -0.305321D+01 -0.349600D+00
      2  -0.351309D+01  0.823100D+01 -0.344656D+01  0.592926D+01 -0.234537D+01
      3   0.673518D+00  0.935683D+00  0.108637D+01 -0.287605D+01  0.269497D+01
      4  -0.491437D+01  0.586709D+01 -0.146851D+02  0.637613D+01 -0.455994D+01
      5   0.642830D+01 -0.116662D+02  0.809177D+01 -0.979008D+01  0.535521D+01
      6  -0.189757D+01  0.474254D+01 -0.667204D+01  0.426782D+01 -0.197800D+01
               251           252           253           254           255 
      1  -0.349907D+00 -0.862379D+00 -0.549014D+01  0.948918D+00  0.353281D+01
      2   0.233778D+01 -0.485386D+01  0.233994D+01  0.244118D+00  0.176759D+01
      3  -0.198787D+01  0.571624D+01  0.315021D+01 -0.119304D+01 -0.530040D+01
      4   0.370905D+01 -0.484929D+01 -0.342699D+01 -0.246851D+00 -0.100178D+01
      5  -0.523242D+01  0.815682D+01 -0.261084D+01 -0.741134D+00 -0.186794D+00
      6   0.372983D+01 -0.258970D+01  0.767315D+00 -0.344332D+00 -0.196402D+01
               256           257           258           259           260 
      1   0.266316D+01 -0.379165D+01 -0.665634D+01  0.289132D+01 -0.396560D+01
      2  -0.162839D+01 -0.217595D-01 -0.119121D+01 -0.372314D+01 -0.137738D+01
      3  -0.103477D+01  0.381341D+01  0.784755D+01  0.831823D+00  0.534298D+01
      4   0.398863D+01  0.355820D+01  0.347115D+01  0.216748D+01  0.341715D+01
      5   0.186887D+01  0.370855D+01  0.555922D+01  0.537303D+01  0.297623D+01
      6   0.145392D+01  0.537557D+01  0.860547D+01  0.958548D+00  0.590579D+01
               261           262           263           264           265 
      1  -0.168677D+02  0.187995D+02  0.280100D+01 -0.687314D+01  0.125074D+01
      2  -0.112624D+02 -0.169765D+02 -0.587884D+01  0.916970D+01 -0.348746D+01
      3   0.281302D+02 -0.182294D+01  0.307784D+01 -0.229656D+01  0.223672D+01
      4   0.191313D+01 -0.120855D+02  0.483537D+01  0.520211D+01 -0.621581D-01
      5   0.165249D+02 -0.179356D+02  0.990644D+00  0.108719D+02 -0.431613D+01
      6   0.115141D+02  0.558071D+01 -0.224966D+01 -0.507457D+01  0.412868D+00
               266           267           268           269           270 
      1   0.446285D+01 -0.326464D+00 -0.417157D+01  0.309903D+00  0.190822D+01
      2  -0.381033D+01  0.167642D+01  0.742284D+01 -0.941556D+00 -0.769109D+01
      3  -0.652527D+00 -0.134996D+01 -0.325127D+01  0.631653D+00  0.578287D+01
      4   0.428131D+00  0.669842D+00  0.161282D+01  0.638153D-01 -0.218955D+01
      5  -0.262611D+00  0.251716D+01  0.803132D+01  0.621624D+00 -0.770500D+01
      6  -0.165941D+01 -0.487301D+00 -0.246593D+01  0.946012D+00  0.395314D+01
               271           272           273           274           275 
      1  -0.481714D+00 -0.585754D+01 -0.778129D+01 -0.155245D+01 -0.307147D+01
      2  -0.411700D+01  0.545773D+01 -0.148310D+01  0.128238D+01  0.696958D+00
      3   0.459872D+01  0.399810D+00  0.926439D+01  0.270077D+00  0.237451D+01
      4   0.411275D+01 -0.188846D+01  0.257107D+01 -0.111573D+00  0.168822D+01
      5   0.178266D+01 -0.884089D+00  0.244870D+01 -0.312888D+00  0.180187D+01
      6   0.178238D+01  0.542182D+01  0.815063D+01  0.233034D+01  0.331794D+01
               276           277           278           279           280 
      1  -0.266050D+01 -0.244594D+01 -0.611575D+01 -0.159205D+02  0.124040D+02
      2   0.784973D+00 -0.747124D+00  0.180387D+01 -0.122068D+02 -0.115676D+02
      3   0.187553D+01  0.319307D+01  0.431188D+01  0.281273D+02 -0.836401D+00
      4   0.134808D+01  0.326549D+01 -0.140994D+01  0.281539D+01  0.176425D+02
      5   0.651937D+00  0.368714D+01 -0.728579D+00 -0.346923D+01 -0.155379D+02
      6   0.603293D+01  0.127709D+01  0.757565D+01  0.198316D+02 -0.883863D+01
               281           282           283           284           285 
      1  -0.336468D+01 -0.267426D+01  0.636841D+00  0.353376D+01 -0.114786D+01
      2   0.605239D+01  0.551877D+01  0.138863D+01 -0.134098D+01  0.287523D+00
      3  -0.268771D+01 -0.284450D+01 -0.202547D+01 -0.219277D+01  0.860332D+00
      4   0.670988D+01 -0.881103D+01  0.320401D+01  0.282604D+01 -0.913728D+00
      5  -0.472146D+01  0.988863D+01  0.360267D-03 -0.598632D+00 -0.107033D+00
      6  -0.531867D+01  0.781677D+01 -0.130650D+01  0.646613D+00  0.803266D+00
               286           287           288           289           290 
      1  -0.234489D+01 -0.109397D+01  0.353577D+00 -0.640784D+00  0.632843D+01
      2   0.541511D+01  0.243767D+01 -0.602906D+01 -0.393654D+01 -0.653664D+01
      3  -0.307022D+01 -0.134371D+01  0.567548D+01  0.457733D+01  0.208211D+00
      4  -0.413962D+01 -0.115485D+01  0.409840D+01 -0.310353D+01  0.926175D+00
      5   0.719659D+01  0.840118D+00 -0.625668D+01  0.240635D+01 -0.564721D+00
      6   0.409614D+01  0.178335D+01 -0.571566D+01 -0.325676D+01  0.533386D+01
               291           292           293           294           295 
      1  -0.635530D+01  0.173186D+01  0.478998D-01  0.128526D+00 -0.239182D+01
      2  -0.309356D+01 -0.207916D+01 -0.238401D+01 -0.719306D+00 -0.182454D+01
      3   0.944886D+01  0.347294D+00  0.233611D+01  0.590780D+00  0.421637D+01
      4  -0.415594D+01  0.385505D+00 -0.198402D+01  0.970092D+00 -0.334478D+01
      5   0.481939D+01 -0.323360D+00  0.235162D+01 -0.948429D+00  0.406657D+01
      6  -0.846648D+01  0.219769D+01 -0.696855D+00  0.359523D+01 -0.222143D+01
               296           297           298           299           300 
      1   0.591323D+01 -0.142995D+02  0.309846D+01  0.213253D+01 -0.140203D-03
      2  -0.254857D+01 -0.138016D+02  0.248139D+00 -0.923459D+00  0.140742D+00
      3  -0.336465D+01  0.281011D+02 -0.334659D+01 -0.120907D+01 -0.140601D+00
      4  -0.133299D+00 -0.337613D+01  0.633702D+01  0.675046D+01  0.364768D+01
      5  -0.201675D+00  0.169414D+01  0.231048D+01  0.422582D+01  0.335206D+01
      6   0.717808D+01 -0.200268D+02  0.218764D+01  0.270463D+01  0.164109D+01
               301           302           303           304           305 
      1   0.827506D+01 -0.472426D+01 -0.143178D+00 -0.244667D+01 -0.196184D+01
      2  -0.652175D+01  0.466170D+01 -0.300003D+01  0.446435D+00 -0.765425D+00
      3  -0.175331D+01  0.625590D-01  0.314321D+01  0.200023D+01  0.272726D+01
      4   0.760243D+01  0.180257D+02  0.919106D+01  0.330347D+01  0.507782D+01
      5   0.944405D+01  0.939192D+01  0.978117D+01  0.336587D+01  0.529840D+01
      6   0.628094D+01  0.106407D+02  0.749973D+01  0.180579D+01  0.578741D+01
               306           307           308           309           310 
      1  -0.366959D+01 -0.509454D+01 -0.167865D+01  0.162530D+01 -0.522390D+01
      2  -0.199789D+01  0.246828D+01  0.796427D+00  0.146626D+01  0.450486D+01
      3   0.566748D+01  0.262627D+01  0.882223D+00 -0.309156D+01  0.719038D+00
      4   0.514637D+01  0.256236D+00  0.739012D+00  0.162147D+00  0.351872D+01
      5   0.715538D+01 -0.156362D+01 -0.913163D+00  0.124810D+01 -0.388847D+01
      6   0.452692D+01 -0.177022D+01  0.494965D+00  0.473508D-01  0.157274D+01
               311           312           313           314           315 
      1  -0.338352D+01  0.519350D+01  0.287442D+01  0.295722D+01 -0.155767D+02
      2  -0.955667D+00  0.378180D+01 -0.502613D+01  0.200351D+01 -0.125249D+02
      3   0.433919D+01 -0.897530D+01  0.215171D+01 -0.496073D+01  0.281016D+02
      4  -0.318016D+01  0.455592D+01 -0.118133D+01  0.343625D+01 -0.303772D+01
      5   0.415658D+01 -0.751023D+01  0.635295D+01 -0.284724D+01  0.188753D+02
      6  -0.385773D+01  0.715561D+01 -0.826702D+00  0.492508D+01 -0.695860D+01
               316           317           318           319           320 
      1  -0.552453D+01 -0.721284D+01 -0.486730D+01 -0.673390D+01 -0.178723D+02
      2   0.539192D+01  0.582677D+01  0.269573D+01  0.465961D+01  0.210707D+02
      3   0.132619D+00  0.138607D+01  0.217157D+01  0.207429D+01 -0.319846D+01
      4   0.524247D+01  0.451444D-01 -0.641365D+00  0.558530D+01 -0.268607D+01
      5   0.212917D+01 -0.569818D-01 -0.293881D+00  0.109454D+01 -0.117490D+01
      6   0.129201D+01  0.877559D+01  0.591169D+01  0.274391D+01  0.166715D+02
               321           322           323           324           325 
      1  -0.995800D+01 -0.134214D+01 -0.747389D+01 -0.808454D+01  0.225096D+01
      2   0.793780D+01  0.915517D+00  0.411357D+01  0.234346D+01 -0.496027D+01
      3   0.202020D+01  0.426619D+00  0.336033D+01  0.574108D+01  0.270931D+01
      4  -0.687792D+00 -0.278699D+00  0.150331D+01  0.727790D+00 -0.557400D+00
      5  -0.197351D+01  0.101151D+01 -0.528095D+00 -0.182766D+01 -0.539973D+01
      6   0.109421D+02  0.277142D+01  0.809295D+01  0.840249D+01 -0.681062D-01
               326           327           328           329           330 
      1  -0.997424D-01 -0.104105D+01  0.257988D+01 -0.277106D+01  0.928380D+00
      2  -0.673318D+00  0.526369D+01 -0.348282D+01 -0.151681D+01  0.754212D+01
      3   0.773060D+00 -0.422264D+01  0.902943D+00  0.428787D+01 -0.847050D+01
      4   0.595451D+00 -0.416621D+00 -0.306532D+01  0.557466D+01 -0.541337D+00
      5  -0.129419D+01  0.802925D+01 -0.412710D+01 -0.488795D+00  0.664434D+01
      6   0.594864D+00 -0.864041D+00  0.195149D+01 -0.203854D+01  0.481367D+00
               331           332           333 
      1  -0.738751D+00 -0.628295D+00 -0.110144D+02
      2   0.577689D+01  0.260626D+01 -0.171185D+02
      3  -0.503814D+01 -0.197796D+01  0.281330D+02
      4   0.251097D+01 -0.311809D+01  0.148238D+01
      5   0.747489D+01  0.271068D+00 -0.182372D+02
      6  -0.175689D+01  0.381094D+01  0.853177D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 04:34:37 2021, MaxMem= 10737418240 cpu:          203278.2 elap:           12720.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.92499 -14.92499 -14.92498 -14.92496 -14.92496
 Alpha  occ. eigenvalues --  -14.92495 -10.74058 -10.74055 -10.74054 -10.74035
 Alpha  occ. eigenvalues --  -10.74032 -10.74031  -3.78202  -2.54965  -2.54963
 Alpha  occ. eigenvalues --   -2.54525  -1.47192  -1.46039  -1.46038  -1.43459
 Alpha  occ. eigenvalues --   -1.43457  -1.43363  -1.25291  -1.25048  -1.25045
 Alpha  occ. eigenvalues --   -1.13261  -1.12630  -1.12629  -1.05624  -1.05618
 Alpha  occ. eigenvalues --   -1.04120  -1.03555  -1.03553  -1.02942  -1.02646
 Alpha  occ. eigenvalues --   -1.01428  -1.01426  -0.95533  -0.95529  -0.94909
 Alpha  occ. eigenvalues --   -0.94645  -0.93972  -0.93971  -0.92453  -0.90968
 Alpha  occ. eigenvalues --   -0.90968  -0.86974  -0.86973  -0.85728  -0.85664
 Alpha  occ. eigenvalues --   -0.85662  -0.84716  -0.82632  -0.81815  -0.81815
 Alpha  occ. eigenvalues --   -0.79493  -0.79493  -0.79263
 Alpha virt. eigenvalues --   -0.40285  -0.40276  -0.33204  -0.31421  -0.30189
 Alpha virt. eigenvalues --   -0.30188  -0.27810  -0.27807  -0.27190  -0.25163
 Alpha virt. eigenvalues --   -0.25159  -0.24147  -0.24146  -0.23695  -0.22827
 Alpha virt. eigenvalues --   -0.22403  -0.22019  -0.22018  -0.21077  -0.21075
 Alpha virt. eigenvalues --   -0.20743  -0.20491  -0.19121  -0.18970  -0.18968
 Alpha virt. eigenvalues --   -0.18624  -0.17990  -0.17988  -0.17395  -0.16972
 Alpha virt. eigenvalues --   -0.16970  -0.16768  -0.16265  -0.16262  -0.15829
 Alpha virt. eigenvalues --   -0.15829  -0.15445  -0.15262  -0.15259  -0.14354
 Alpha virt. eigenvalues --   -0.14351  -0.14313  -0.14083  -0.14081  -0.14020
 Alpha virt. eigenvalues --   -0.13413  -0.13412  -0.13259  -0.12867  -0.11872
 Alpha virt. eigenvalues --   -0.11870  -0.11857  -0.11347  -0.11324  -0.11321
 Alpha virt. eigenvalues --   -0.10716  -0.10500  -0.10499  -0.10138  -0.10137
 Alpha virt. eigenvalues --   -0.09900  -0.09639  -0.09099  -0.09098  -0.08714
 Alpha virt. eigenvalues --   -0.08713  -0.08542  -0.08479  -0.08473  -0.08235
 Alpha virt. eigenvalues --   -0.07543  -0.07541  -0.07071  -0.07028  -0.07019
 Alpha virt. eigenvalues --   -0.07017  -0.05737  -0.05585  -0.05584  -0.04982
 Alpha virt. eigenvalues --   -0.04980  -0.04419  -0.04271  -0.04158  -0.04156
 Alpha virt. eigenvalues --   -0.03079  -0.02623  -0.02619  -0.02342  -0.02009
 Alpha virt. eigenvalues --   -0.01545  -0.01343  -0.01340  -0.00790  -0.00789
 Alpha virt. eigenvalues --    0.00842   0.00845   0.01232   0.01234   0.02113
 Alpha virt. eigenvalues --    0.02120   0.02540   0.02979   0.02980   0.03138
 Alpha virt. eigenvalues --    0.03947   0.04557   0.04564   0.04818   0.05054
 Alpha virt. eigenvalues --    0.06053   0.06058   0.07962   0.08246   0.08248
 Alpha virt. eigenvalues --    0.08940   0.09059   0.09061   0.09529   0.09664
 Alpha virt. eigenvalues --    0.09666   0.10302   0.10308   0.10622   0.10625
 Alpha virt. eigenvalues --    0.10822   0.11650   0.12459   0.12462   0.13104
 Alpha virt. eigenvalues --    0.13170   0.13176   0.13246   0.13775   0.14440
 Alpha virt. eigenvalues --    0.14448   0.15671   0.15737   0.16804   0.16806
 Alpha virt. eigenvalues --    0.17833   0.18337   0.18343   0.19541   0.19946
 Alpha virt. eigenvalues --    0.19948   0.20045   0.20056   0.20286   0.21058
 Alpha virt. eigenvalues --    0.21069   0.21363   0.22227   0.22231   0.22444
 Alpha virt. eigenvalues --    0.22632   0.23768   0.23775   0.25192   0.25637
 Alpha virt. eigenvalues --    0.25846   0.25864   0.26456   0.26459   0.27252
 Alpha virt. eigenvalues --    0.27360   0.27361   0.28232   0.28235   0.29825
 Alpha virt. eigenvalues --    0.30298   0.30301   0.30377   0.32840   0.32849
 Alpha virt. eigenvalues --    0.33376   0.33386   0.33641   0.34246   0.34248
 Alpha virt. eigenvalues --    0.35110   0.35754   0.35768   0.36368   0.36375
 Alpha virt. eigenvalues --    0.36729   0.37324   0.37336   0.37954   0.37972
 Alpha virt. eigenvalues --    0.37979   0.38488   0.39516   0.39826   0.39833
 Alpha virt. eigenvalues --    0.40631   0.41342   0.41606   0.41613   0.42291
 Alpha virt. eigenvalues --    0.42788   0.42799   0.43829   0.43970   0.44611
 Alpha virt. eigenvalues --    0.45034   0.45041   0.45857   0.45860   0.47311
 Alpha virt. eigenvalues --    0.47313   0.47559   0.47565   0.47613   0.48577
 Alpha virt. eigenvalues --    0.49837   0.49846   0.50585   0.50598   0.52492
 Alpha virt. eigenvalues --    0.53564   0.53569   0.54016   0.54556   0.54562
 Alpha virt. eigenvalues --    0.54844   0.55814   0.56233   0.56242   0.56796
 Alpha virt. eigenvalues --    0.56867   0.57687   0.57700   0.60567   0.60572
 Alpha virt. eigenvalues --    0.60603   0.60866   0.60872   0.61373   0.61384
 Alpha virt. eigenvalues --    0.63143   0.63151   0.63301   0.63941   0.64731
 Alpha virt. eigenvalues --    0.64749   0.66990   0.66996   0.68200   0.68320
 Alpha virt. eigenvalues --    0.70676   0.70682   0.71629   0.71639   0.73678
 Alpha virt. eigenvalues --    0.74194   0.74662   0.74669   0.76944   0.77431
 Alpha virt. eigenvalues --    0.77450   0.77457   0.79260   0.79264   0.80816
 Alpha virt. eigenvalues --    0.80824   0.82917   0.83511   0.83958   0.83968
 Alpha virt. eigenvalues --    0.86354   0.86442   0.88289   0.88745   0.88751
 Alpha virt. eigenvalues --    0.91194   0.91198   0.92816   0.92824   0.93510
 Alpha virt. eigenvalues --    0.95498   0.95527   0.98242   0.98782   0.98799
 Alpha virt. eigenvalues --    1.02818   1.02866   1.02877   1.03715   1.05058
 Alpha virt. eigenvalues --    1.05197   1.08232   1.08248   1.13274   1.13302
 Alpha virt. eigenvalues --    1.15455   1.15468   1.16996   1.17014   1.18570
 Alpha virt. eigenvalues --    1.18725   1.19005   1.19008   1.23327   1.26376
 Alpha virt. eigenvalues --    1.27730   1.27740   1.28667   1.28686   1.30663
 Alpha virt. eigenvalues --    1.30726   1.30728   1.33848   1.34016   1.34037
 Alpha virt. eigenvalues --    1.36299   1.36308   1.38171   1.38558   1.38588
 Alpha virt. eigenvalues --    1.39850   1.42161   1.42177   1.45625   1.46024
 Alpha virt. eigenvalues --    1.46035   1.47384   1.47439   1.47642   1.47653
 Alpha virt. eigenvalues --    1.49015   1.49019   1.50848   1.50856   1.50949
 Alpha virt. eigenvalues --    1.51246   1.53042   1.53063   1.53967   1.54945
 Alpha virt. eigenvalues --    1.57500   1.57513   1.57969   1.57974   1.59916
 Alpha virt. eigenvalues --    1.59937   1.62652   1.62655   1.62844   1.63842
 Alpha virt. eigenvalues --    1.63854   1.63912   1.64941   1.66028   1.66042
 Alpha virt. eigenvalues --    1.67191   1.67202   1.68335   1.69946   1.69951
 Alpha virt. eigenvalues --    1.70625   1.72058   1.72062   1.74084   1.74098
 Alpha virt. eigenvalues --    1.75257   1.75708   1.78382   1.78389   1.80119
 Alpha virt. eigenvalues --    1.82248   1.82360   1.82371   1.84810   1.84817
 Alpha virt. eigenvalues --    1.84957   1.86612   1.86619   1.86963   1.88321
 Alpha virt. eigenvalues --    1.88338   1.88985   1.90929   1.90941   1.91292
 Alpha virt. eigenvalues --    1.93570   1.93577   1.94657   1.94871   1.96868
 Alpha virt. eigenvalues --    1.98160   1.98161   1.99860   1.99861   2.01416
 Alpha virt. eigenvalues --    2.04426   2.04474   2.05683   2.08224   2.08956
 Alpha virt. eigenvalues --    2.08962   2.09839   2.09853   2.12085   2.12118
 Alpha virt. eigenvalues --    2.12131   2.14758   2.14772   2.16580   2.18171
 Alpha virt. eigenvalues --    2.18193   2.19609   2.21691   2.22964   2.22968
 Alpha virt. eigenvalues --    2.24776   2.24796   2.25962   2.26009   2.26019
 Alpha virt. eigenvalues --    2.27750   2.28526   2.28549   2.29207   2.30576
 Alpha virt. eigenvalues --    2.30590   2.30729   2.31369   2.31375   2.32655
 Alpha virt. eigenvalues --    2.32680   2.32816   2.35049   2.35984   2.36006
 Alpha virt. eigenvalues --    2.37254   2.37637   2.37640   2.38686   2.38701
 Alpha virt. eigenvalues --    2.40945   2.40952   2.43107   2.43266   2.43273
 Alpha virt. eigenvalues --    2.45544   2.45562   2.49816   2.51666   2.51676
 Alpha virt. eigenvalues --    2.55448   2.55566   2.55579   2.57937   2.61271
 Alpha virt. eigenvalues --    2.61282   2.61626   2.67305   2.69212   2.69242
 Alpha virt. eigenvalues --    2.76757   2.76777   2.77192   2.79793   2.79800
 Alpha virt. eigenvalues --    2.83018   2.84454   2.92343   2.92404   2.92422
 Alpha virt. eigenvalues --    2.93762   2.93946   2.93982   2.97974   3.04634
 Alpha virt. eigenvalues --    3.04669   3.08605   3.08618   3.08893   3.15078
 Alpha virt. eigenvalues --    3.15094   3.23862   3.41498   3.41602   3.91438
 Alpha virt. eigenvalues --    5.92249   5.92671  45.85001
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.059851   0.213325  -0.007418  -1.191585   0.922717   0.018155
     2  C    0.213325   5.058397   0.925951  -1.202612  -0.005046   0.090374
     3  N   -0.007418   0.925951  10.377858  -8.640428   0.771506   0.585366
     4  Rh  -1.191585  -1.202612  -8.640428  73.476536  -8.636767  -8.638510
     5  N    0.922717  -0.005046   0.771506  -8.636767  10.376446   0.757277
     6  N    0.018155   0.090374   0.585366  -8.638510   0.757277  10.378875
     7  C   -0.042867   0.021097   0.090051  -1.201123   0.051183   0.925004
     8  C    0.018696  -0.042736   0.018469  -1.195617   0.159462  -0.006131
     9  N    0.158948   0.050804   0.755318  -8.629689   1.056079   0.770564
    10  N    0.089916   0.019449   0.757723  -8.649534   0.586942   1.060076
    11  C    0.021176  -0.042945   0.049930  -1.196780   0.090156   0.160441
    12  C   -0.043000   0.019705   0.161513  -1.201511   0.019410   0.050227
    13  N    0.049965   0.161488   1.062369  -8.651689   0.760202   0.756527
    14  H    0.019086  -0.006890  -0.028514   0.186796  -0.001609   0.003484
    15  H   -0.006904   0.004285   0.013040   0.473866  -0.013964  -0.026342
    16  H    0.001444   0.000481  -0.009791   0.183311  -0.025317  -0.123029
    17  H    0.002936  -0.001180   0.001375   0.476390   0.021627  -0.509525
    18  H    0.000447   0.001523  -0.025181   0.186585  -0.009789  -0.001225
    19  H   -0.001174   0.002895   0.021571   0.474460   0.001331  -0.014200
    20  H   -0.007049   0.019418  -0.000896   0.184416  -0.028684  -0.025202
    21  H    0.004350  -0.007004  -0.014351   0.475878   0.013104   0.021581
    22  H   -0.138865  -0.200025  -0.122802   0.183069   0.004022  -0.009773
    23  H    0.084766  -0.069302  -0.509553   0.476441  -0.026747   0.001374
    24  H   -0.202034  -0.137645   0.002755   0.188455  -0.125593  -0.028520
    25  H   -0.068593   0.084605  -0.026058   0.472941  -0.506736   0.013033
    26  H    0.027653   0.007470   0.016803  -0.013135   0.269955  -0.040663
    27  H   -0.082338   0.023936  -0.040841  -0.086043   0.344331   0.018349
    28  H    0.007525   0.027499   0.270096  -0.013830   0.016882   0.011791
    29  H    0.023601  -0.082015   0.344544  -0.086159  -0.040724   0.003487
    30  H    0.009360   0.016062  -0.029619  -0.014013  -0.040588   0.003082
    31  H    0.002237   0.005103   0.037306  -0.085140   0.018289   0.040988
    32  H    0.002508  -0.002184   0.003036  -0.013370   0.011772  -0.029857
    33  H   -0.002836   0.012433   0.040948  -0.085751   0.003493   0.037380
    34  H   -0.002198   0.002526   0.011803  -0.013198   0.003044   0.269648
    35  H    0.012377  -0.002784   0.003530  -0.087193   0.041255   0.344940
    36  H    0.015791   0.009386  -0.040576  -0.013179  -0.029791   0.016876
    37  H    0.005128   0.002231   0.018351  -0.086664   0.037398  -0.040699
               7          8          9         10         11         12
     1  C   -0.042867   0.018696   0.158948   0.089916   0.021176  -0.043000
     2  C    0.021097  -0.042736   0.050804   0.019449  -0.042945   0.019705
     3  N    0.090051   0.018469   0.755318   0.757723   0.049930   0.161513
     4  Rh  -1.201123  -1.195617  -8.629689  -8.649534  -1.196780  -1.201511
     5  N    0.051183   0.159462   1.056079   0.586942   0.090156   0.019410
     6  N    0.925004  -0.006131   0.770564   1.060076   0.160441   0.050227
     7  C    5.058230   0.214283  -0.005110   0.160884   0.019344  -0.042919
     8  C    0.214283   5.059005   0.923311   0.050771  -0.043042   0.021147
     9  N   -0.005110   0.923311  10.373127   0.759920   0.018858   0.090148
    10  N    0.160884   0.050771   0.759920  10.380998   0.924250  -0.005509
    11  C    0.019344  -0.043042   0.018858   0.924250   5.060551   0.212464
    12  C   -0.042919   0.021147   0.090148  -0.005509   0.212464   5.060363
    13  N    0.019068   0.089856   0.586106   0.773166  -0.006601   0.925668
    14  H   -0.138074  -0.201336  -0.124718  -0.025239   0.001523   0.000441
    15  H    0.084633  -0.068586  -0.507571   0.021529   0.002896  -0.001170
    16  H   -0.199821  -0.138895   0.004056  -0.001117   0.019397  -0.007047
    17  H   -0.069207   0.084688  -0.026708  -0.014221  -0.006968   0.004342
    18  H    0.019232  -0.006959  -0.028585  -0.124755  -0.201006  -0.138427
    19  H   -0.006961   0.004321   0.013084  -0.507875  -0.069294   0.084829
    20  H    0.001502   0.000461  -0.009767   0.003723  -0.139055  -0.200354
    21  H    0.002902  -0.001174   0.001345  -0.026626   0.085136  -0.069597
    22  H    0.000494   0.001437  -0.025266  -0.028678  -0.007048   0.019371
    23  H   -0.001180   0.002932   0.021642   0.013119   0.004346  -0.006977
    24  H   -0.006826   0.018962  -0.001615  -0.009812   0.000441   0.001529
    25  H    0.004269  -0.006901  -0.013981   0.001319  -0.001173   0.002886
    26  H    0.009326   0.015914  -0.029881   0.011746   0.002524  -0.002196
    27  H    0.002255   0.005138   0.037392   0.003525  -0.002822   0.012440
    28  H    0.002517  -0.002202   0.003099  -0.040520   0.009356   0.016074
    29  H   -0.002780   0.012348   0.041108   0.018353   0.002239   0.005105
    30  H   -0.002199   0.002508   0.011787   0.016929   0.007479   0.027644
    31  H    0.012399  -0.002820   0.003496  -0.040910   0.023708  -0.082134
    32  H    0.016081   0.009289  -0.040567   0.269649   0.027641   0.007444
    33  H    0.005112   0.002279   0.018309   0.344192  -0.082152   0.023786
    34  H    0.027394   0.007707   0.016941  -0.029720   0.015901   0.009352
    35  H   -0.081953   0.023603  -0.040567   0.037449   0.005119   0.002252
    36  H    0.007650   0.027456   0.270104   0.003034  -0.002199   0.002521
    37  H    0.023897  -0.082331   0.344905   0.041175   0.012421  -0.002799
              13         14         15         16         17         18
     1  C    0.049965   0.019086  -0.006904   0.001444   0.002936   0.000447
     2  C    0.161488  -0.006890   0.004285   0.000481  -0.001180   0.001523
     3  N    1.062369  -0.028514   0.013040  -0.009791   0.001375  -0.025181
     4  Rh  -8.651689   0.186796   0.473866   0.183311   0.476390   0.186585
     5  N    0.760202  -0.001609  -0.013964  -0.025317   0.021627  -0.009789
     6  N    0.756527   0.003484  -0.026342  -0.123029  -0.509525  -0.001225
     7  C    0.019068  -0.138074   0.084633  -0.199821  -0.069207   0.019232
     8  C    0.089856  -0.201336  -0.068586  -0.138895   0.084688  -0.006959
     9  N    0.586106  -0.124718  -0.507571   0.004056  -0.026708  -0.028585
    10  N    0.773166  -0.025239   0.021529  -0.001117  -0.014221  -0.124755
    11  C   -0.006601   0.001523   0.002896   0.019397  -0.006968  -0.201006
    12  C    0.925668   0.000441  -0.001170  -0.007047   0.004342  -0.138427
    13  N   10.382328  -0.009814   0.001343  -0.028616   0.013093   0.003121
    14  H   -0.009814   2.248107  -0.469921   0.174253  -0.148243  -0.000336
    15  H    0.001343  -0.469921   1.918154  -0.148300  -0.009864  -0.000007
    16  H   -0.028616   0.174253  -0.148300   2.248359  -0.470200   0.000097
    17  H    0.013093  -0.148243  -0.009864  -0.470200   1.918962  -0.000303
    18  H    0.003121  -0.000336  -0.000007   0.000097  -0.000303   2.248036
    19  H   -0.026275   0.000132   0.000116  -0.000276  -0.000333  -0.469810
    20  H   -0.123382   0.000016  -0.000371  -0.000334   0.000132   0.174312
    21  H   -0.509011  -0.000371   0.000106  -0.000016   0.000117  -0.148212
    22  H   -0.000907  -0.000333   0.000130   0.000020  -0.000370  -0.000330
    23  H   -0.014304  -0.000008   0.000115  -0.000371   0.000106   0.000130
    24  H   -0.025184   0.000139  -0.000293  -0.000333  -0.000002   0.000017
    25  H    0.021520  -0.000278  -0.000336   0.000130   0.000115  -0.000373
    26  H    0.003029   0.007935  -0.000002  -0.003302  -0.000329  -0.000401
    27  H    0.041013  -0.000877   0.000062  -0.002931   0.003407  -0.000038
    28  H   -0.029601  -0.001155   0.000490  -0.000406  -0.000200  -0.003317
    29  H    0.037357  -0.002730   0.000611  -0.000033  -0.000112  -0.002927
    30  H    0.270216  -0.000407  -0.000202  -0.001157   0.000487  -0.004920
    31  H    0.343935  -0.000031  -0.000117  -0.002727   0.000617  -0.017249
    32  H    0.016795  -0.003323  -0.000334   0.008084   0.000011  -0.071408
    33  H   -0.040847  -0.002932   0.003412  -0.000896   0.000065   0.039078
    34  H   -0.040550  -0.004939   0.004520  -0.071450   0.017790   0.007959
    35  H    0.018445  -0.017260   0.006427   0.039069  -0.022335  -0.000882
    36  H    0.011777  -0.071440   0.017774  -0.004929   0.004520  -0.001155
    37  H    0.003535   0.039122  -0.022500  -0.017252   0.006426  -0.002730
              19         20         21         22         23         24
     1  C   -0.001174  -0.007049   0.004350  -0.138865   0.084766  -0.202034
     2  C    0.002895   0.019418  -0.007004  -0.200025  -0.069302  -0.137645
     3  N    0.021571  -0.000896  -0.014351  -0.122802  -0.509553   0.002755
     4  Rh   0.474460   0.184416   0.475878   0.183069   0.476441   0.188455
     5  N    0.001331  -0.028684   0.013104   0.004022  -0.026747  -0.125593
     6  N   -0.014200  -0.025202   0.021581  -0.009773   0.001374  -0.028520
     7  C   -0.006961   0.001502   0.002902   0.000494  -0.001180  -0.006826
     8  C    0.004321   0.000461  -0.001174   0.001437   0.002932   0.018962
     9  N    0.013084  -0.009767   0.001345  -0.025266   0.021642  -0.001615
    10  N   -0.507875   0.003723  -0.026626  -0.028678   0.013119  -0.009812
    11  C   -0.069294  -0.139055   0.085136  -0.007048   0.004346   0.000441
    12  C    0.084829  -0.200354  -0.069597   0.019371  -0.006977   0.001529
    13  N   -0.026275  -0.123382  -0.509011  -0.000907  -0.014304  -0.025184
    14  H    0.000132   0.000016  -0.000371  -0.000333  -0.000008   0.000139
    15  H    0.000116  -0.000371   0.000106   0.000130   0.000115  -0.000293
    16  H   -0.000276  -0.000334  -0.000016   0.000020  -0.000371  -0.000333
    17  H   -0.000333   0.000132   0.000117  -0.000370   0.000106  -0.000002
    18  H   -0.469810   0.174312  -0.148212  -0.000330   0.000130   0.000017
    19  H    1.918477  -0.148267  -0.009882  -0.000016   0.000117  -0.000371
    20  H   -0.148267   2.248079  -0.470133   0.000088  -0.000298  -0.000334
    21  H   -0.009882  -0.470133   1.919033  -0.000296  -0.000332   0.000130
    22  H   -0.000016   0.000088  -0.000296   2.248538  -0.470248   0.174351
    23  H    0.000117  -0.000298  -0.000332  -0.470248   1.919073  -0.148259
    24  H   -0.000371  -0.000334   0.000130   0.174351  -0.148259   2.248267
    25  H    0.000107  -0.000013   0.000117  -0.148415  -0.009813  -0.469693
    26  H   -0.000202  -0.001151   0.000483  -0.004931   0.004524  -0.071439
    27  H   -0.000118  -0.002741   0.000620  -0.017215   0.006420   0.039128
    28  H   -0.000353   0.008015   0.000023  -0.071479   0.017747  -0.004932
    29  H    0.003419  -0.000889   0.000057   0.039063  -0.022291  -0.017205
    30  H    0.004509  -0.071394   0.017746   0.008037   0.000019  -0.003331
    31  H    0.006432   0.039030  -0.022299  -0.000887   0.000060  -0.002925
    32  H    0.017793  -0.004934   0.004521  -0.001154   0.000486  -0.000407
    33  H   -0.022433  -0.017263   0.006431  -0.002734   0.000619  -0.000034
    34  H    0.000005  -0.003304  -0.000348  -0.000407  -0.000199  -0.001159
    35  H    0.000053  -0.002923   0.003413  -0.000032  -0.000115  -0.002726
    36  H    0.000488  -0.000402  -0.000201  -0.003295  -0.000329   0.007841
    37  H    0.000615  -0.000033  -0.000117  -0.002921   0.003405  -0.000868
              25         26         27         28         29         30
     1  C   -0.068593   0.027653  -0.082338   0.007525   0.023601   0.009360
     2  C    0.084605   0.007470   0.023936   0.027499  -0.082015   0.016062
     3  N   -0.026058   0.016803  -0.040841   0.270096   0.344544  -0.029619
     4  Rh   0.472941  -0.013135  -0.086043  -0.013830  -0.086159  -0.014013
     5  N   -0.506736   0.269955   0.344331   0.016882  -0.040724  -0.040588
     6  N    0.013033  -0.040663   0.018349   0.011791   0.003487   0.003082
     7  C    0.004269   0.009326   0.002255   0.002517  -0.002780  -0.002199
     8  C   -0.006901   0.015914   0.005138  -0.002202   0.012348   0.002508
     9  N   -0.013981  -0.029881   0.037392   0.003099   0.041108   0.011787
    10  N    0.001319   0.011746   0.003525  -0.040520   0.018353   0.016929
    11  C   -0.001173   0.002524  -0.002822   0.009356   0.002239   0.007479
    12  C    0.002886  -0.002196   0.012440   0.016074   0.005105   0.027644
    13  N    0.021520   0.003029   0.041013  -0.029601   0.037357   0.270216
    14  H   -0.000278   0.007935  -0.000877  -0.001155  -0.002730  -0.000407
    15  H   -0.000336  -0.000002   0.000062   0.000490   0.000611  -0.000202
    16  H    0.000130  -0.003302  -0.002931  -0.000406  -0.000033  -0.001157
    17  H    0.000115  -0.000329   0.003407  -0.000200  -0.000112   0.000487
    18  H   -0.000373  -0.000401  -0.000038  -0.003317  -0.002927  -0.004920
    19  H    0.000107  -0.000202  -0.000118  -0.000353   0.003419   0.004509
    20  H   -0.000013  -0.001151  -0.002741   0.008015  -0.000889  -0.071394
    21  H    0.000117   0.000483   0.000620   0.000023   0.000057   0.017746
    22  H   -0.148415  -0.004931  -0.017215  -0.071479   0.039063   0.008037
    23  H   -0.009813   0.004524   0.006420   0.017747  -0.022291   0.000019
    24  H   -0.469693  -0.071439   0.039128  -0.004932  -0.017205  -0.003331
    25  H    1.917734   0.017775  -0.022511   0.004510   0.006427  -0.000336
    26  H    0.017775   0.879189  -0.143103  -0.001555   0.001534  -0.000923
    27  H   -0.022511  -0.143103   0.738120   0.001525  -0.003033   0.002953
    28  H    0.004510  -0.001555   0.001525   0.879421  -0.143256   0.002858
    29  H    0.006427   0.001534  -0.003033  -0.143256   0.738347  -0.000402
    30  H   -0.000336  -0.000923   0.002953   0.002858  -0.000402   0.879287
    31  H    0.003414   0.001266  -0.002015  -0.000404   0.003436  -0.143259
    32  H   -0.000203  -0.000250   0.000513  -0.000922   0.001265  -0.001560
    33  H   -0.000120   0.000514   0.000640   0.002943  -0.002011   0.001524
    34  H    0.000493  -0.000923   0.001270  -0.000249   0.000520  -0.000921
    35  H    0.000607   0.002912  -0.002012   0.000517   0.000632   0.001275
    36  H    0.000003   0.002834  -0.000398  -0.000926   0.002907  -0.000251
    37  H    0.000054  -0.000401   0.003439   0.001274  -0.002002   0.000514
              31         32         33         34         35         36
     1  C    0.002237   0.002508  -0.002836  -0.002198   0.012377   0.015791
     2  C    0.005103  -0.002184   0.012433   0.002526  -0.002784   0.009386
     3  N    0.037306   0.003036   0.040948   0.011803   0.003530  -0.040576
     4  Rh  -0.085140  -0.013370  -0.085751  -0.013198  -0.087193  -0.013179
     5  N    0.018289   0.011772   0.003493   0.003044   0.041255  -0.029791
     6  N    0.040988  -0.029857   0.037380   0.269648   0.344940   0.016876
     7  C    0.012399   0.016081   0.005112   0.027394  -0.081953   0.007650
     8  C   -0.002820   0.009289   0.002279   0.007707   0.023603   0.027456
     9  N    0.003496  -0.040567   0.018309   0.016941  -0.040567   0.270104
    10  N   -0.040910   0.269649   0.344192  -0.029720   0.037449   0.003034
    11  C    0.023708   0.027641  -0.082152   0.015901   0.005119  -0.002199
    12  C   -0.082134   0.007444   0.023786   0.009352   0.002252   0.002521
    13  N    0.343935   0.016795  -0.040847  -0.040550   0.018445   0.011777
    14  H   -0.000031  -0.003323  -0.002932  -0.004939  -0.017260  -0.071440
    15  H   -0.000117  -0.000334   0.003412   0.004520   0.006427   0.017774
    16  H   -0.002727   0.008084  -0.000896  -0.071450   0.039069  -0.004929
    17  H    0.000617   0.000011   0.000065   0.017790  -0.022335   0.004520
    18  H   -0.017249  -0.071408   0.039078   0.007959  -0.000882  -0.001155
    19  H    0.006432   0.017793  -0.022433   0.000005   0.000053   0.000488
    20  H    0.039030  -0.004934  -0.017263  -0.003304  -0.002923  -0.000402
    21  H   -0.022299   0.004521   0.006431  -0.000348   0.003413  -0.000201
    22  H   -0.000887  -0.001154  -0.002734  -0.000407  -0.000032  -0.003295
    23  H    0.000060   0.000486   0.000619  -0.000199  -0.000115  -0.000329
    24  H   -0.002925  -0.000407  -0.000034  -0.001159  -0.002726   0.007841
    25  H    0.003414  -0.000203  -0.000120   0.000493   0.000607   0.000003
    26  H    0.001266  -0.000250   0.000514  -0.000923   0.002912   0.002834
    27  H   -0.002015   0.000513   0.000640   0.001270  -0.002012  -0.000398
    28  H   -0.000404  -0.000922   0.002943  -0.000249   0.000517  -0.000926
    29  H    0.003436   0.001265  -0.002011   0.000520   0.000632   0.002907
    30  H   -0.143259  -0.001560   0.001524  -0.000921   0.001275  -0.000251
    31  H    0.738507   0.001533  -0.003033   0.002935  -0.002015   0.000519
    32  H    0.001533   0.879782  -0.143184   0.002848  -0.000407  -0.000924
    33  H   -0.003033  -0.143184   0.738323  -0.000396   0.003442   0.001268
    34  H    0.002935   0.002848  -0.000396   0.879156  -0.143207  -0.001548
    35  H   -0.002015  -0.000407   0.003442  -0.143207   0.738271   0.001530
    36  H    0.000519  -0.000924   0.001268  -0.001548   0.001530   0.878782
    37  H    0.000636   0.002943  -0.002023   0.001529  -0.003024  -0.143148
              37
     1  C    0.005128
     2  C    0.002231
     3  N    0.018351
     4  Rh  -0.086664
     5  N    0.037398
     6  N   -0.040699
     7  C    0.023897
     8  C   -0.082331
     9  N    0.344905
    10  N    0.041175
    11  C    0.012421
    12  C   -0.002799
    13  N    0.003535
    14  H    0.039122
    15  H   -0.022500
    16  H   -0.017252
    17  H    0.006426
    18  H   -0.002730
    19  H    0.000615
    20  H   -0.000033
    21  H   -0.000117
    22  H   -0.002921
    23  H    0.003405
    24  H   -0.000868
    25  H    0.000054
    26  H   -0.000401
    27  H    0.003439
    28  H    0.001274
    29  H   -0.002002
    30  H    0.000514
    31  H    0.000636
    32  H    0.002943
    33  H   -0.002023
    34  H    0.001529
    35  H   -0.003024
    36  H   -0.143148
    37  H    0.738165
 Mulliken charges:
               1
     1  C    1.024905
     2  C    1.021925
     3  N    0.154819
     4  Rh  -0.805621
     5  N    0.153474
     6  N    0.154776
     7  C    1.022212
     8  C    1.024684
     9  N    0.153574
    10  N    0.154679
    11  C    1.023787
    12  C    1.022978
    13  N    0.154863
    14  H   -0.420253
    15  H   -0.276725
    16  H   -0.420154
    17  H   -0.277108
    18  H   -0.420216
    19  H   -0.276913
    20  H   -0.420019
    21  H   -0.277124
    22  H   -0.420193
    23  H   -0.277114
    24  H   -0.420475
    25  H   -0.276526
    26  H    0.031404
    27  H    0.122562
    28  H    0.031146
    29  H    0.122209
    30  H    0.031205
    31  H    0.122123
    32  H    0.030992
    33  H    0.122459
    34  H    0.031375
    35  H    0.122316
    36  H    0.031628
    37  H    0.122349
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.327903
     2  C    0.324618
     3  N    0.308174
     4  Rh  -0.805621
     5  N    0.307440
     6  N    0.308467
     7  C    0.324951
     8  C    0.327706
     9  N    0.307551
    10  N    0.308129
    11  C    0.326658
    12  C    0.325835
    13  N    0.308191
 Electronic spatial extent (au):  <R**2>=           2782.1584
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0005    Y=              0.0008    Z=             -0.0003  Tot=              0.0010
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -29.9656   YY=            -30.0058   ZZ=            -53.6948
   XY=             -0.0019   XZ=             -0.0030   YZ=              0.0002
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.9231   YY=              7.8829   ZZ=            -15.8061
   XY=             -0.0019   XZ=             -0.0030   YZ=              0.0002
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             13.6337  YYY=             33.5991  ZZZ=             -0.0018  XYY=            -13.6301
  XXY=            -33.6388  XXZ=             -0.0080  XZZ=              0.0188  YZZ=             -0.0189
  YYZ=              0.0022  XYZ=             -0.0017
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1002.0866 YYYY=          -1001.2255 ZZZZ=           -323.7430 XXXY=             -0.0092
 XXXZ=             32.6917 YYYX=              0.0100 YYYZ=            -13.2600 ZZZX=              0.0108
 ZZZY=              0.0377 XXYY=           -333.8916 XXZZ=           -225.2388 YYZZ=           -225.1249
 XXYZ=             13.2609 YYXZ=            -32.7182 ZZXY=             -0.0176
 N-N= 1.198495797189D+03 E-N=-3.904929398903D+03  KE= 6.072242993985D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 04:34:38 2021, MaxMem= 10737418240 cpu:              12.6 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.57041775D-04 2.84772257D-04-7.33539917D-05
 Polarizability= 1.50650499D+02-2.45177805D-03 1.50603333D+02
                 1.66914436D-04 3.06928015D-03 1.17003112D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0031   -0.0029       -0.0105   -0.0087
 2      0.0031    0.0029       -0.0025   -0.0022       -0.0368   -0.0355
 3      0.0105    0.0087       17.1577   17.1585        0.0017    0.0022
 4      0.0025    0.0022       -0.0000    0.0000        0.0056    0.0087
 5    -17.1209  -17.1229       -0.0056   -0.0087       -0.0034   -0.0029
 6     -0.0017   -0.0022        0.0034    0.0029       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0088    0.0088       -0.0260   -0.0260
 2      0.0066    0.0066       -0.0000    0.0000       -0.0260   -0.0260
 3      0.0066    0.0066        0.0088    0.0088       -0.0000    0.0000
 4      0.0088    0.0088       -0.0066   -0.0066       -0.1066   -0.1066
 5      0.0260    0.0260       51.4754   51.4754        0.0066    0.0066
 6    -51.3688  -51.3688       -0.0260   -0.0260       -0.0088   -0.0088
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2623    0.0000        0.2348    0.0117        0.8485    0.0346
 2      0.0656   -0.0117       -0.2277    0.0088       -0.5219    0.1422
 3     -0.4121   -0.0346      -68.3468  -68.6339        0.4922   -0.0088
 4     -0.3955   -0.0088       -0.0399    0.0000        0.0881   -0.0346
 5     68.6521   68.4917        0.0805    0.0346       -0.1303    0.0117
 6     -0.0946    0.0088        0.0452   -0.0117        0.0146    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0456    0.0000       -0.3909   -0.0291       -0.7317    0.0117
 2     -2.8513    0.0291       -1.8659   -0.1405       -0.3090   -0.0602
 3     -0.1099   -0.0117      -26.0065  -25.5937       -0.7140    0.1405
 4      0.8750    0.1405       -0.3216    0.0000        0.5865   -0.0117
 5     27.0499   25.6539        0.1431    0.0117       -0.4447   -0.0291
 6     -0.6807   -0.1405        0.9056    0.0291        0.2460    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -32.4302  -32.3174       79.9296   79.5627        0.2049   -0.0063
 2    -31.2611  -32.2535       79.1737   79.5140       -0.2538   -0.0063
 3    -31.5368  -32.2535       79.6520   79.5627        0.6231    0.0120
 4     -1.0917    0.0487        0.2606   -0.0639       -0.1319    0.0231
 5     -1.1816    0.0183      -38.5846  -38.3398       -1.1974    0.0639
 6     39.1532   38.3166        0.4397   -0.0183       -0.2138   -0.0487
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006   -0.0004    0.0003    5.9684   15.3289   17.0278
 Low frequencies ---   83.5307   85.6235  116.1719
 Diagonal vibrational polarizability:
       15.3975984      15.2519679      11.2169964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     83.4767                85.5903               116.1570
 Red. masses --      3.0249                 3.0350                 2.8829
 Frc consts  --      0.0124                 0.0131                 0.0229
 IR Inten    --      0.0222                 0.0168                 0.5762
 RamAct Fr= 1--      0.9781                 0.9553                 0.0156
  Dep-P Fr= 1--      0.7443                 0.7458                 0.7068
  Dep-U Fr= 1--      0.8534                 0.8544                 0.8282
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1391                 0.1360                 0.0021
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0515                -0.0386                 0.0163
 Delta2 Fr= 1--     -0.0549                -0.0729                 0.0026
 Raman1 Fr= 1--       3.912                  3.821                  0.062
 ROA1   Fr= 1--      -6.698                 -6.043                  1.651
 CID1   Fr= 1--      -1.712                 -1.582                 26.516
 Raman2 Fr= 1--       1.669                  1.633                  0.026
 ROA2   Fr= 1--      -0.797                 -0.344                  0.371
 CID2   Fr= 1--      -0.477                 -0.211                 14.393
 Raman3 Fr= 1--       3.339                  3.265                  0.052
 ROA3   Fr= 1--      -6.698                 -6.043                  1.651
 CID3   Fr= 1--      -2.006                 -1.851                 32.015
 RC180  Fr= 1--       0.707                  0.709                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07  -0.01     0.18  -0.09  -0.06     0.04  -0.03  -0.10
     2   6     0.00  -0.12  -0.04     0.07  -0.16  -0.05     0.02  -0.04  -0.11
     3   7    -0.03  -0.06  -0.01    -0.02   0.00   0.03     0.02   0.08   0.02
     4  45    -0.04  -0.01  -0.00    -0.01   0.04   0.00    -0.00  -0.00   0.07
     5   7    -0.03   0.01   0.03     0.05   0.02   0.01    -0.08   0.01   0.02
     6   7    -0.04   0.05  -0.01     0.02   0.01  -0.03     0.04  -0.07   0.02
     7   6    -0.03   0.14  -0.05    -0.03  -0.16   0.04     0.01   0.05  -0.11
     8   6     0.04   0.09  -0.02    -0.14  -0.12   0.06     0.03   0.04  -0.11
     9   7    -0.02  -0.02   0.03    -0.06   0.01  -0.00    -0.08  -0.03   0.03
    10   7     0.00  -0.04  -0.02    -0.04   0.04  -0.02     0.06  -0.05   0.03
    11   6     0.21  -0.05   0.06    -0.00   0.04  -0.02    -0.04   0.01  -0.10
    12   6     0.19   0.09   0.06     0.01   0.05   0.02    -0.04  -0.02  -0.10
    13   7    -0.01   0.03  -0.02     0.02   0.05   0.02     0.04   0.06   0.02
    14   1     0.13   0.08   0.01    -0.27  -0.07   0.07     0.15  -0.00  -0.10
    15   1     0.05   0.14  -0.04    -0.16  -0.23   0.11    -0.01   0.11  -0.19
    16   1    -0.11   0.16  -0.06     0.09  -0.23   0.02    -0.12   0.10  -0.12
    17   1     0.02   0.20  -0.08    -0.08  -0.23   0.08     0.09   0.09  -0.20
    18   1     0.24  -0.21   0.06     0.02   0.04  -0.04    -0.07   0.13  -0.09
    19   1     0.32  -0.00   0.12    -0.02   0.04  -0.02    -0.09  -0.06  -0.18
    20   1     0.18   0.26   0.06    -0.01   0.06   0.04    -0.03  -0.14  -0.11
    21   1     0.31   0.08   0.12     0.04   0.05   0.03    -0.11   0.03  -0.19
    22   1    -0.06  -0.15  -0.06    -0.03  -0.27  -0.03    -0.08  -0.13  -0.11
    23   1     0.05  -0.17  -0.07     0.15  -0.22  -0.10     0.10  -0.06  -0.20
    24   1     0.11  -0.05   0.02     0.29  -0.01  -0.07     0.14   0.04  -0.10
    25   1     0.05  -0.10  -0.03     0.22  -0.20  -0.12     0.02  -0.11  -0.19
    26   1    -0.02   0.05   0.10     0.09   0.09   0.09    -0.10   0.03   0.12
    27   1    -0.10   0.03  -0.01    -0.06   0.02  -0.04    -0.20   0.02  -0.03
    28   1    -0.06  -0.07   0.01    -0.10  -0.01   0.13    -0.00   0.09   0.11
    29   1    -0.00  -0.02  -0.02    -0.00   0.12  -0.03     0.05   0.19  -0.03
    30   1    -0.06   0.11  -0.13     0.03   0.05   0.04     0.07   0.06   0.11
    31   1    -0.08  -0.08   0.04     0.04   0.05   0.01     0.10   0.16  -0.03
    32   1    -0.03  -0.13  -0.13    -0.04   0.03  -0.05     0.09  -0.04   0.12
    33   1    -0.09   0.05   0.04    -0.06   0.04  -0.01     0.15  -0.13  -0.03
    34   1    -0.09   0.05   0.03     0.09   0.02  -0.13     0.02  -0.09   0.11
    35   1    -0.01   0.00  -0.03    -0.03   0.12   0.03     0.10  -0.17  -0.03
    36   1     0.01  -0.06   0.10    -0.11   0.06  -0.08    -0.09  -0.06   0.13
    37   1    -0.09  -0.05  -0.01     0.04   0.02   0.04    -0.19  -0.07  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    143.1030               143.8430               163.2946
 Red. masses --      2.8937                 2.8933                 2.7492
 Frc consts  --      0.0349                 0.0353                 0.0432
 IR Inten    --      0.3026                 0.3197                 0.0117
 RamAct Fr= 1--      0.2011                 0.2056                 1.8388
  Dep-P Fr= 1--      0.7497                 0.7463                 0.7467
  Dep-U Fr= 1--      0.8570                 0.8547                 0.8550
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0287                 0.0293                 0.2620
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0043
 Gamma2 Fr= 1--      1.0598                 1.0779                -3.1475
 Delta2 Fr= 1--      0.1863                 0.2020                -0.9981
 Raman1 Fr= 1--       0.804                  0.823                  7.355
 ROA1   Fr= 1--     107.702                109.939               -334.096
 CID1   Fr= 1--     133.897                133.660                -45.422
 Raman2 Fr= 1--       0.345                  0.352                  3.144
 ROA2   Fr= 1--      23.945                 24.254                -67.554
 CID2   Fr= 1--      69.475                 68.995                -21.484
 Raman3 Fr= 1--       0.689                  0.703                  6.289
 ROA3   Fr= 1--     107.702                109.939               -334.096
 CID3   Fr= 1--     156.244                156.374                -53.125
 RC180  Fr= 1--       0.714                  0.709                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.12    -0.05   0.03  -0.07     0.02  -0.04  -0.08
     2   6     0.03  -0.04  -0.08    -0.00   0.05  -0.10    -0.03   0.03   0.09
     3   7     0.08  -0.09  -0.08     0.04   0.03  -0.05    -0.07   0.07   0.08
     4  45     0.01   0.01  -0.00     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
     5   7    -0.05   0.11   0.09    -0.06  -0.00  -0.02     0.05  -0.09  -0.08
     6   7     0.06   0.02  -0.07     0.05   0.11  -0.07     0.04   0.09  -0.08
     7   6     0.01  -0.03  -0.12     0.02   0.06  -0.06     0.02   0.04  -0.08
     8   6    -0.04  -0.05  -0.03    -0.00  -0.03   0.13    -0.01  -0.04   0.09
     9   7    -0.06  -0.05   0.00    -0.01  -0.12   0.09    -0.03  -0.09   0.08
    10   7     0.06   0.06   0.08    -0.11  -0.00  -0.05     0.10   0.02   0.08
    11   6    -0.00   0.02   0.14    -0.07   0.00  -0.03     0.04   0.01   0.08
    12   6    -0.07  -0.02   0.01     0.02  -0.01   0.14    -0.04  -0.00  -0.08
    13   7    -0.09  -0.04  -0.03     0.09  -0.04   0.09    -0.09  -0.00  -0.07
    14   1    -0.04  -0.01   0.02    -0.00   0.08   0.25    -0.00   0.05   0.19
    15   1    -0.08  -0.10  -0.04    -0.02  -0.14   0.18    -0.04  -0.13   0.11
    16   1    -0.03  -0.06  -0.17    -0.05  -0.02  -0.18    -0.04  -0.03  -0.18
    17   1     0.05  -0.00  -0.16     0.07   0.17  -0.09     0.06   0.13  -0.10
    18   1    -0.07  -0.03   0.22     0.01   0.04  -0.13    -0.04  -0.02   0.17
    19   1     0.06   0.06   0.19    -0.18  -0.01  -0.04     0.13   0.03   0.10
    20   1     0.00  -0.03  -0.07    -0.08   0.02   0.24     0.05  -0.02  -0.17
    21   1    -0.15  -0.05   0.01     0.11  -0.03   0.19    -0.13  -0.01  -0.10
    22   1    -0.06   0.02  -0.21    -0.03   0.05  -0.12     0.05  -0.02   0.19
    23   1     0.12  -0.13  -0.12     0.02   0.06  -0.13    -0.10   0.11   0.12
    24   1     0.00  -0.07   0.24    -0.04   0.02  -0.06    -0.02   0.05  -0.19
    25   1    -0.08   0.15   0.16    -0.09   0.04  -0.09     0.08  -0.12  -0.11
    26   1    -0.07   0.13   0.20    -0.09  -0.02   0.00     0.08  -0.10  -0.18
    27   1    -0.08   0.22   0.03    -0.08   0.00  -0.04     0.09  -0.17  -0.03
    28   1     0.09  -0.12  -0.19     0.08   0.04  -0.06    -0.07   0.10   0.16
    29   1     0.17  -0.16  -0.02     0.07   0.03  -0.04    -0.14   0.12   0.03
    30   1    -0.10  -0.08  -0.11     0.12  -0.05   0.17    -0.11  -0.02  -0.15
    31   1    -0.16  -0.05   0.01     0.18  -0.07   0.05    -0.17   0.01  -0.03
    32   1     0.08   0.09   0.15    -0.14   0.03  -0.15     0.12   0.01   0.17
    33   1     0.12   0.11   0.05    -0.20  -0.03   0.00     0.18   0.05   0.03
    34   1     0.09   0.02  -0.11     0.04   0.15  -0.17     0.03   0.12  -0.16
    35   1     0.11   0.04  -0.05     0.11   0.19  -0.01     0.09   0.16  -0.03
    36   1    -0.09  -0.04   0.06    -0.02  -0.15   0.20    -0.05  -0.11   0.17
    37   1    -0.08  -0.09  -0.02    -0.01  -0.22   0.04    -0.04  -0.18   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.4513               215.0331               220.8686
 Red. masses --      2.7314                 2.7458                 2.9941
 Frc consts  --      0.0740                 0.0748                 0.0861
 IR Inten    --      7.0843                 6.8916                11.2730
 RamAct Fr= 1--      2.5863                 2.5795                 0.0473
  Dep-P Fr= 1--      0.7489                 0.7500                 0.6626
  Dep-U Fr= 1--      0.8564                 0.8571                 0.7970
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.3692                 0.3685                 0.0063
 AlphaG Fr= 1--      0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.3067                -1.4525                -0.0146
 Delta2 Fr= 1--     -0.1093                -0.1563                 0.0011
 Raman1 Fr= 1--      10.345                 10.318                  0.189
 ROA1   Fr= 1--    -128.936               -144.435                 -1.369
 CID1   Fr= 1--     -12.463                -13.998                 -7.235
 Raman2 Fr= 1--       4.430                  4.422                  0.075
 ROA2   Fr= 1--     -30.486                -33.609                 -0.360
 CID2   Fr= 1--      -6.882                 -7.600                 -4.778
 Raman3 Fr= 1--       8.860                  8.844                  0.151
 ROA3   Fr= 1--    -128.936               -144.435                 -1.369
 CID3   Fr= 1--     -14.553                -16.331                 -9.078
 RC180  Fr= 1--       0.713                  0.714                  0.594
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.05   0.02     0.00   0.04  -0.03    -0.07  -0.02  -0.03
     2   6    -0.07  -0.07  -0.01    -0.05   0.00  -0.02     0.03   0.05  -0.04
     3   7    -0.05  -0.06   0.01    -0.07   0.12   0.08     0.12  -0.07  -0.04
     4  45    -0.01  -0.01  -0.01     0.01  -0.01   0.01    -0.00   0.00   0.06
     5   7    -0.07  -0.01  -0.01    -0.11   0.09   0.07     0.02  -0.13  -0.04
     6   7    -0.01   0.14  -0.06     0.08   0.05  -0.06     0.09   0.08  -0.03
     7   6    -0.01   0.03   0.02     0.10  -0.04   0.02     0.03  -0.04  -0.04
     8   6    -0.06   0.04   0.03     0.06  -0.01  -0.00    -0.08   0.00  -0.03
     9   7     0.03   0.10  -0.07     0.10   0.07  -0.03    -0.03   0.12  -0.04
    10   7     0.15  -0.02   0.07    -0.05  -0.07  -0.05    -0.07  -0.07  -0.01
    11   6     0.02  -0.00  -0.01     0.01  -0.10   0.02     0.03  -0.04  -0.04
    12   6     0.03  -0.08  -0.02    -0.01  -0.06  -0.01     0.02   0.06  -0.04
    13   7     0.13  -0.01   0.08    -0.09  -0.08  -0.03    -0.09   0.06  -0.02
    14   1    -0.17   0.10   0.04    -0.02   0.01  -0.02    -0.16   0.03  -0.03
    15   1    -0.04  -0.04   0.11     0.05  -0.04   0.01    -0.11  -0.07  -0.03
    16   1     0.08  -0.02   0.01     0.20  -0.07   0.03     0.10  -0.08  -0.05
    17   1    -0.06  -0.00   0.06     0.04  -0.08   0.08     0.01  -0.11  -0.04
    18   1    -0.01   0.13  -0.01     0.01  -0.19   0.04     0.05  -0.09  -0.04
    19   1    -0.05  -0.04  -0.07     0.07  -0.06   0.08     0.10  -0.05  -0.05
    20   1     0.04  -0.22  -0.02     0.01  -0.00  -0.03     0.02   0.11  -0.05
    21   1    -0.06  -0.04  -0.09     0.01  -0.06  -0.00     0.08   0.08  -0.05
    22   1    -0.10  -0.07  -0.03    -0.15  -0.09  -0.02     0.09   0.11  -0.04
    23   1    -0.04  -0.08  -0.04     0.04  -0.03  -0.10    -0.02   0.11  -0.03
    24   1    -0.07  -0.07   0.04     0.11   0.12  -0.03    -0.15  -0.08  -0.03
    25   1    -0.07  -0.02   0.05     0.01  -0.05  -0.10    -0.12   0.04  -0.02
    26   1    -0.07  -0.00   0.02    -0.15   0.11   0.24     0.02  -0.18  -0.19
    27   1    -0.07   0.01  -0.02    -0.23   0.18  -0.01     0.10  -0.23   0.03
    28   1    -0.05  -0.06   0.00    -0.07   0.17   0.25     0.16  -0.09  -0.19
    29   1    -0.04  -0.06   0.01    -0.12   0.27  -0.01     0.19  -0.18   0.04
    30   1     0.18   0.02   0.25    -0.12  -0.09  -0.15    -0.12   0.08  -0.12
    31   1     0.27   0.06  -0.01    -0.19  -0.10   0.03    -0.18   0.05   0.03
    32   1     0.20  -0.04   0.25    -0.07  -0.06  -0.13    -0.10  -0.10  -0.11
    33   1     0.32  -0.04  -0.03    -0.13  -0.04  -0.00    -0.16  -0.09   0.04
    34   1    -0.01   0.19  -0.21     0.08   0.07  -0.15     0.13   0.11  -0.17
    35   1     0.01   0.27   0.02     0.08   0.14  -0.01     0.14   0.20   0.04
    36   1     0.06   0.12  -0.20     0.12   0.10  -0.15    -0.03   0.17  -0.16
    37   1     0.11   0.19   0.00     0.15   0.17   0.03     0.02   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    245.4806               301.0760               301.6480
 Red. masses --      4.3796                 1.9132                 1.9065
 Frc consts  --      0.1555                 0.1022                 0.1022
 IR Inten    --      0.0019                 1.2390                 1.2487
 RamAct Fr= 1--     15.8122                 0.4528                 0.4074
  Dep-P Fr= 1--      0.0996                 0.7334                 0.7466
  Dep-U Fr= 1--      0.1811                 0.8462                 0.8549
 Alpha2 Fr= 1--      0.2771                 0.0001                 0.0000
 Beta2  Fr= 1--      0.4773                 0.0639                 0.0580
 AlphaG Fr= 1--      0.0866                 0.0001                 0.0001
 Gamma2 Fr= 1--      5.1344                -0.9376                -0.7675
 Delta2 Fr= 1--      0.4612                -0.0088                -0.0222
 Raman1 Fr= 1--      63.249                  1.811                  1.629
 ROA1   Fr= 1--     507.659                -90.294                -74.389
 CID1   Fr= 1--       8.026                -49.850                -45.653
 Raman2 Fr= 1--       5.727                  0.766                  0.697
 ROA2   Fr= 1--     119.535                -22.433                -18.242
 CID2   Fr= 1--      20.872                -29.272                -26.191
 Raman3 Fr= 1--      11.454                  1.533                  1.393
 ROA3   Fr= 1--     507.659                -90.294                -74.389
 CID3   Fr= 1--      44.321                -58.910                -53.402
 RC180  Fr= 1--      -0.638                  0.692                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.10   0.02     0.09   0.02  -0.08     0.01   0.01  -0.02
     2   6    -0.13  -0.12  -0.02     0.04   0.08   0.08    -0.00   0.01  -0.01
     3   7    -0.08  -0.08   0.05     0.03  -0.05  -0.05    -0.00  -0.02  -0.03
     4  45    -0.00   0.00  -0.00    -0.03  -0.02  -0.00    -0.02   0.03  -0.00
     5   7    -0.10  -0.06  -0.05    -0.04   0.04   0.06     0.02   0.00  -0.02
     6   7     0.10  -0.06  -0.05    -0.00   0.04  -0.05     0.01   0.04  -0.04
     7   6     0.16  -0.08   0.02     0.02  -0.03   0.02     0.06  -0.06   0.08
     8   6     0.17  -0.05  -0.02     0.04  -0.00  -0.04     0.08   0.01  -0.07
     9   7     0.11  -0.03   0.05     0.00  -0.01  -0.00    -0.04  -0.05   0.06
    10   7    -0.03   0.12   0.05     0.04  -0.01   0.05    -0.03  -0.01  -0.03
    11   6    -0.04   0.17  -0.02    -0.03   0.04  -0.04     0.04  -0.06   0.07
    12   6    -0.01   0.18   0.02     0.01   0.05   0.06    -0.02  -0.07  -0.06
    13   7     0.00   0.12  -0.05    -0.02   0.00  -0.01     0.05   0.02   0.06
    14   1     0.22  -0.11  -0.06     0.08  -0.06  -0.09     0.22  -0.14  -0.17
    15   1     0.14   0.01  -0.10     0.04   0.07  -0.09     0.07   0.19  -0.20
    16   1     0.23  -0.08   0.06     0.13  -0.04   0.06     0.25  -0.05   0.18
    17   1     0.09  -0.11   0.10    -0.05  -0.08   0.09    -0.07  -0.18   0.20
    18   1    -0.02   0.25  -0.06    -0.00   0.18  -0.10    -0.02  -0.21   0.16
    19   1    -0.08   0.12  -0.10    -0.13  -0.03  -0.13     0.16   0.01   0.17
    20   1    -0.05   0.24   0.06    -0.05   0.14   0.12     0.06  -0.22  -0.14
    21   1     0.05   0.13   0.10     0.12   0.03   0.13    -0.17  -0.02  -0.17
    22   1    -0.20  -0.13  -0.06     0.25   0.13   0.19     0.03   0.03  -0.00
    23   1    -0.06  -0.13  -0.09    -0.13   0.17   0.21    -0.02   0.01   0.02
    24   1    -0.18  -0.16   0.06     0.19   0.20  -0.19    -0.00   0.01  -0.03
    25   1    -0.14  -0.03   0.09     0.13  -0.17  -0.21     0.02   0.00  -0.02
    26   1    -0.10  -0.06  -0.05    -0.06   0.07   0.21     0.04   0.01  -0.07
    27   1    -0.07  -0.03  -0.05    -0.19   0.09  -0.02     0.03  -0.04   0.00
    28   1    -0.09  -0.09   0.04     0.06  -0.07  -0.19    -0.01  -0.05  -0.10
    29   1    -0.05  -0.06   0.05     0.03  -0.19   0.02     0.04  -0.08   0.00
    30   1     0.00   0.13  -0.04    -0.04   0.02  -0.05     0.09   0.03   0.21
    31   1     0.02   0.08  -0.05    -0.05  -0.06   0.01     0.17   0.10  -0.02
    32   1    -0.03   0.12   0.05     0.08  -0.02   0.19    -0.06  -0.03  -0.11
    33   1    -0.03   0.07   0.05     0.17  -0.04  -0.02    -0.11   0.06   0.02
    34   1     0.11  -0.06  -0.04    -0.01   0.07  -0.16     0.04   0.07  -0.15
    35   1     0.06  -0.05  -0.05     0.01   0.14   0.01    -0.03   0.16   0.02
    36   1     0.12  -0.04   0.05     0.02  -0.03   0.01    -0.06  -0.09   0.22
    37   1     0.07  -0.02   0.05    -0.03  -0.00  -0.01    -0.17  -0.15  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.9809               327.5257               328.2693
 Red. masses --      1.7103                 3.6671                 3.6244
 Frc consts  --      0.0943                 0.2318                 0.2301
 IR Inten    --      0.0089                 9.2256                 9.2272
 RamAct Fr= 1--      1.9799                 2.7756                 2.7102
  Dep-P Fr= 1--      0.0325                 0.7500                 0.7500
  Dep-U Fr= 1--      0.0630                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0408                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0208                 0.3965                 0.3872
 AlphaG Fr= 1--      0.1260                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.8299                -0.8719                -1.0376
 Delta2 Fr= 1--     -0.1356                 0.0006                -0.0567
 Raman1 Fr= 1--       7.920                 11.102                 10.841
 ROA1   Fr= 1--      75.334                -83.685               -101.428
 CID1   Fr= 1--       9.512                 -7.537                 -9.356
 Raman2 Fr= 1--       0.249                  4.758                  4.646
 ROA2   Fr= 1--      21.002                -20.931                -24.449
 CID2   Fr= 1--      84.248                 -4.399                 -5.263
 Raman3 Fr= 1--       0.499                  9.516                  9.292
 ROA3   Fr= 1--      75.334                -83.685               -101.428
 CID3   Fr= 1--     151.097                 -8.794                -10.916
 RC180  Fr= 1--      -0.874                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.06    -0.05  -0.06  -0.04    -0.05  -0.07  -0.06
     2   6     0.01  -0.02  -0.06    -0.04  -0.01   0.04    -0.10  -0.04   0.07
     3   7     0.00   0.07   0.02     0.01  -0.03   0.07    -0.06  -0.13  -0.00
     4  45     0.00   0.00   0.00     0.10  -0.04  -0.00     0.03   0.10   0.00
     5   7     0.07  -0.02  -0.02    -0.11  -0.03   0.03    -0.08   0.00  -0.06
     6   7    -0.02   0.06  -0.02    -0.07   0.10   0.04     0.06  -0.04   0.06
     7   6    -0.01  -0.02   0.06    -0.11   0.01   0.07     0.03  -0.01  -0.01
     8   6     0.01   0.03  -0.06    -0.09   0.07  -0.07    -0.02   0.01   0.00
     9   7    -0.06  -0.03   0.02    -0.13  -0.01  -0.03    -0.05   0.02   0.06
    10   7     0.06  -0.04   0.02    -0.05   0.10  -0.03     0.06  -0.06  -0.06
    11   6    -0.03  -0.00  -0.06     0.01   0.07   0.04    -0.01  -0.09  -0.06
    12   6     0.03   0.01   0.06    -0.02   0.03  -0.03     0.04  -0.10   0.07
    13   7    -0.05  -0.05  -0.02     0.02   0.00  -0.07    -0.04  -0.13   0.01
    14   1     0.11  -0.08  -0.14    -0.02  -0.03  -0.16     0.01   0.01   0.02
    15   1     0.02   0.16  -0.14    -0.05   0.20  -0.11    -0.05  -0.01  -0.03
    16   1     0.13  -0.02   0.14     0.01   0.04   0.16    -0.01   0.01  -0.01
    17   1    -0.10  -0.13   0.14    -0.17  -0.11   0.11     0.06  -0.02  -0.05
    18   1     0.02   0.14  -0.15    -0.01  -0.01   0.07     0.04  -0.00  -0.14
    19   1    -0.16  -0.06  -0.15     0.05   0.11   0.09    -0.14  -0.10  -0.08
    20   1    -0.05   0.14   0.15     0.03   0.01  -0.08    -0.03  -0.00   0.14
    21   1     0.17  -0.02   0.15    -0.09  -0.01  -0.01     0.16  -0.11   0.11
    22   1    -0.13  -0.06  -0.14     0.01  -0.03   0.09     0.03  -0.02   0.14
    23   1     0.13  -0.10  -0.14    -0.08   0.07   0.03    -0.19   0.04   0.12
    24   1    -0.09  -0.11   0.14    -0.00   0.02  -0.09    -0.03   0.03  -0.14
    25   1    -0.06   0.15   0.14    -0.04  -0.14  -0.10     0.04  -0.17  -0.07
    26   1     0.09  -0.04  -0.14    -0.20  -0.03   0.23    -0.07   0.03  -0.01
    27   1     0.18  -0.07   0.05    -0.25   0.10  -0.08    -0.14  -0.01  -0.08
    28   1    -0.01   0.10   0.14     0.04   0.00   0.10    -0.07  -0.20  -0.22
    29   1    -0.02   0.19  -0.05    -0.06  -0.01   0.04     0.01  -0.30   0.11
    30   1    -0.08  -0.07  -0.16     0.02  -0.05  -0.13    -0.09  -0.18  -0.19
    31   1    -0.16  -0.13   0.05    -0.05   0.03  -0.03    -0.20  -0.20   0.11
    32   1     0.09  -0.04   0.14    -0.11   0.16  -0.24     0.08  -0.05   0.01
    33   1     0.17  -0.08  -0.05    -0.23   0.09   0.07     0.11  -0.11  -0.09
    34   1    -0.02   0.10  -0.14    -0.07   0.14  -0.10     0.10  -0.10   0.21
    35   1    -0.03   0.18   0.05    -0.08   0.22   0.11    -0.00  -0.18  -0.03
    36   1    -0.08  -0.06   0.14    -0.16  -0.04   0.13    -0.12   0.01   0.19
    37   1    -0.15  -0.11  -0.05    -0.23  -0.11  -0.11    -0.08  -0.11  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3837               406.8987               407.1900
 Red. masses --      3.7095                 4.8639                 4.8637
 Frc consts  --      0.3539                 0.4745                 0.4751
 IR Inten    --      0.1622                 3.1760                 3.0218
 RamAct Fr= 1--      0.0361                 3.8807                 3.9087
  Dep-P Fr= 1--      0.7401                 0.7495                 0.7499
  Dep-U Fr= 1--      0.8507                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0051                 0.5542                 0.5583
 AlphaG Fr= 1--      0.0001                 0.0001                 0.0000
 Gamma2 Fr= 1--     -0.0025                -1.4429                -1.5981
 Delta2 Fr= 1--      0.0014                -0.1584                -0.2409
 Raman1 Fr= 1--       0.144                 15.523                 15.635
 ROA1   Fr= 1--      -0.192               -143.585               -161.128
 CID1   Fr= 1--      -1.328                 -9.250                -10.306
 Raman2 Fr= 1--       0.061                  6.650                  6.700
 ROA2   Fr= 1--      -0.070                -33.362                -36.428
 CID2   Fr= 1--      -1.142                 -5.017                 -5.437
 Raman3 Fr= 1--       0.123                 13.301                 13.400
 ROA3   Fr= 1--      -0.192               -143.585               -161.128
 CID3   Fr= 1--      -1.561                -10.795                -12.024
 RC180  Fr= 1--       0.701                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.03     0.04   0.10  -0.02    -0.05  -0.09   0.02
     2   6    -0.08   0.00  -0.03    -0.12  -0.02  -0.03     0.08   0.00   0.02
     3   7    -0.09  -0.04  -0.05    -0.18  -0.05  -0.13     0.10   0.03   0.08
     4  45    -0.00   0.01   0.09     0.08  -0.02   0.01     0.02   0.08  -0.01
     5   7     0.06   0.07  -0.05     0.09   0.13  -0.11    -0.08  -0.13   0.10
     6   7    -0.12   0.01  -0.07    -0.06  -0.00  -0.04    -0.19   0.01  -0.13
     7   6    -0.10  -0.02  -0.03    -0.04   0.01  -0.01    -0.13  -0.01  -0.03
     8   6     0.05  -0.08  -0.04    -0.01  -0.01  -0.00     0.08  -0.10  -0.03
     9   7     0.10  -0.08  -0.07     0.00   0.00  -0.00     0.15  -0.14  -0.14
    10   7     0.01   0.11  -0.06    -0.04  -0.17   0.12    -0.03  -0.11   0.08
    11   6     0.04   0.08  -0.03    -0.05  -0.11   0.02    -0.02  -0.07   0.02
    12   6     0.06  -0.07  -0.03    -0.07   0.11   0.03    -0.04   0.03   0.01
    13   7     0.04  -0.10  -0.07    -0.09   0.17   0.14    -0.03   0.06   0.05
    14   1     0.08  -0.13  -0.08    -0.01  -0.01  -0.01     0.07  -0.13  -0.07
    15   1     0.14   0.01   0.00     0.00  -0.00   0.00     0.22  -0.01   0.06
    16   1    -0.14  -0.04  -0.08    -0.05   0.00  -0.02    -0.14  -0.04  -0.06
    17   1    -0.09   0.10   0.00    -0.05   0.05   0.01    -0.15   0.14   0.06
    18   1     0.07   0.12  -0.07    -0.07  -0.11   0.06    -0.04  -0.09   0.04
    19   1    -0.07   0.11   0.00     0.08  -0.17  -0.06     0.06  -0.11  -0.03
    20   1     0.10  -0.10  -0.08    -0.10   0.10   0.06    -0.05   0.03   0.03
    21   1    -0.05  -0.13  -0.00     0.04   0.21  -0.06     0.01   0.07  -0.02
    22   1    -0.13   0.00  -0.07    -0.15  -0.00  -0.06     0.09  -0.02   0.04
    23   1    -0.05  -0.10  -0.00    -0.11  -0.17   0.06     0.06   0.10  -0.03
    24   1     0.03   0.13  -0.07     0.02   0.12  -0.06    -0.04  -0.12   0.05
    25   1     0.11   0.02  -0.01     0.16   0.05   0.05    -0.16  -0.05  -0.04
    26   1     0.11   0.06  -0.22     0.04   0.09  -0.09    -0.11  -0.14   0.14
    27   1     0.13  -0.06   0.04     0.12   0.17  -0.11    -0.14  -0.14   0.08
    28   1    -0.09  -0.10  -0.22    -0.19  -0.06  -0.16     0.06   0.00   0.06
    29   1     0.03  -0.15   0.04    -0.22  -0.11  -0.11     0.14   0.05   0.09
    30   1     0.01  -0.15  -0.24    -0.09   0.16   0.13    -0.02   0.00   0.02
    31   1    -0.11  -0.11   0.02    -0.11   0.24   0.13    -0.04   0.08   0.05
    32   1    -0.03   0.14  -0.23    -0.05  -0.12   0.09    -0.02  -0.15   0.12
    33   1    -0.14   0.07   0.02    -0.06  -0.24   0.13     0.01  -0.14   0.05
    34   1    -0.13   0.07  -0.24    -0.11   0.02  -0.08    -0.15  -0.01  -0.11
    35   1    -0.05   0.15   0.02    -0.06   0.04  -0.02    -0.27   0.01  -0.14
    36   1     0.15  -0.05  -0.24    -0.05   0.02   0.02     0.12  -0.13  -0.12
    37   1     0.14   0.07   0.02    -0.00  -0.02  -0.01     0.21  -0.19  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    463.2633               463.6083               500.8848
 Red. masses --      4.0188                 4.0242                 4.1867
 Frc consts  --      0.5082                 0.5096                 0.6189
 IR Inten    --      7.3678                 7.2955                 0.0006
 RamAct Fr= 1--      3.5643                 3.7210                40.6865
  Dep-P Fr= 1--      0.7500                 0.7499                 0.0012
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0025
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.9015
 Beta2  Fr= 1--      0.5092                 0.5315                 0.0167
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.7956
 Gamma2 Fr= 1--      0.1721                 0.1728                -0.1299
 Delta2 Fr= 1--      0.1135                 0.0946                 0.0468
 Raman1 Fr= 1--      14.257                 14.884                162.746
 ROA1   Fr= 1--      20.151                 19.612                -10.972
 CID1   Fr= 1--       1.413                  1.318                 -0.067
 Raman2 Fr= 1--       6.110                  6.378                  0.201
 ROA2   Fr= 1--       3.222                  3.390                 -3.491
 CID2   Fr= 1--       0.527                  0.531                -17.409
 Raman3 Fr= 1--      12.220                 12.757                  0.401
 ROA3   Fr= 1--      20.151                 19.612                -10.972
 CID3   Fr= 1--       1.649                  1.537                -27.354
 RC180  Fr= 1--       0.714                  0.714                 -0.995
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04     0.02   0.04   0.00     0.01   0.00   0.02
     2   6     0.04   0.01  -0.03    -0.03  -0.00  -0.01     0.01   0.00  -0.02
     3   7    -0.15   0.05  -0.20    -0.07   0.01  -0.06    -0.13   0.03  -0.15
     4  45     0.03   0.01   0.00    -0.01   0.03   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.17   0.20     0.01  -0.01   0.04    -0.01  -0.13   0.15
     6   7    -0.07  -0.06  -0.14     0.13   0.07   0.16     0.12   0.06   0.16
     7   6     0.04  -0.00  -0.02     0.00   0.01   0.03    -0.01   0.00   0.02
     8   6     0.00   0.01   0.03    -0.03   0.03  -0.02    -0.01   0.00  -0.02
     9   7    -0.04   0.13   0.15     0.01  -0.10  -0.14     0.04  -0.12  -0.15
    10   7    -0.02  -0.00   0.05    -0.12  -0.12   0.20     0.09   0.10  -0.15
    11   6     0.01   0.04   0.00    -0.00   0.02   0.04     0.00  -0.01  -0.02
    12   6     0.02  -0.02  -0.01    -0.01   0.03  -0.03     0.00  -0.01   0.02
    13   7     0.06  -0.05  -0.07     0.14  -0.07  -0.20    -0.11   0.07   0.15
    14   1     0.01   0.03   0.05    -0.08   0.05  -0.01    -0.05   0.01  -0.02
    15   1    -0.10  -0.04  -0.06     0.05   0.01   0.09     0.09  -0.00   0.09
    16   1     0.09  -0.02  -0.02     0.01   0.03   0.06    -0.05   0.02   0.02
    17   1    -0.03   0.04   0.08     0.05  -0.10  -0.06     0.07  -0.06  -0.09
    18   1     0.02   0.09  -0.02    -0.03   0.04   0.06     0.01  -0.05  -0.02
    19   1    -0.02   0.00  -0.05     0.09  -0.08  -0.09    -0.04   0.08   0.09
    20   1     0.05  -0.04  -0.04    -0.01   0.08  -0.04     0.00  -0.05   0.02
    21   1    -0.05  -0.06   0.01    -0.05  -0.08   0.11     0.02   0.08  -0.09
    22   1     0.07   0.05  -0.04    -0.06   0.00  -0.04     0.05   0.03  -0.02
    23   1    -0.03  -0.09   0.11    -0.01  -0.07   0.01    -0.05  -0.07   0.09
    24   1     0.05   0.01   0.06     0.04   0.08  -0.02     0.04   0.02   0.02
    25   1    -0.13   0.00  -0.10     0.02  -0.01  -0.04    -0.08  -0.02  -0.09
    26   1    -0.05  -0.26   0.13     0.03  -0.03  -0.04    -0.01  -0.16   0.05
    27   1     0.01  -0.24   0.23     0.05  -0.09   0.09     0.02  -0.19   0.19
    28   1    -0.24   0.03  -0.09    -0.11  -0.02  -0.10    -0.16   0.04  -0.05
    29   1    -0.24   0.10  -0.25    -0.04  -0.03  -0.03    -0.19   0.07  -0.19
    30   1     0.06  -0.10  -0.10     0.19  -0.15  -0.09    -0.14   0.09   0.05
    31   1     0.01  -0.05  -0.04     0.23  -0.10  -0.24    -0.18   0.08   0.19
    32   1    -0.04  -0.01  -0.04    -0.14  -0.22   0.13     0.11   0.13  -0.05
    33   1    -0.11  -0.04   0.10    -0.17  -0.16   0.23     0.15   0.13  -0.19
    34   1    -0.13  -0.07  -0.02     0.21   0.05   0.13     0.15   0.08   0.05
    35   1    -0.15  -0.14  -0.19     0.14   0.07   0.16     0.16   0.12   0.20
    36   1    -0.11   0.18   0.13     0.05  -0.15  -0.03     0.05  -0.16  -0.05
    37   1    -0.05   0.14   0.15     0.01  -0.21  -0.20     0.03  -0.19  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.2913               536.4347               567.4495
 Red. masses --      1.6558                 1.6541                 1.9025
 Frc consts  --      0.2806                 0.2804                 0.3609
 IR Inten    --      2.4354                 2.4415                 1.9122
 RamAct Fr= 1--      0.1527                 0.1629                 0.0045
  Dep-P Fr= 1--      0.7018                 0.5977                 0.3787
  Dep-U Fr= 1--      0.8248                 0.7482                 0.5494
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0210                 0.0203                 0.0004
 AlphaG Fr= 1--     -0.0000                 0.0003                 0.0002
 Gamma2 Fr= 1--      0.4910                 0.4849                 0.0038
 Delta2 Fr= 1--      0.2715                 0.2867                 0.0006
 Raman1 Fr= 1--       0.611                  0.652                  0.018
 ROA1   Fr= 1--      55.825                 55.730                  0.384
 CID1   Fr= 1--      91.383                 85.539                 21.361
 Raman2 Fr= 1--       0.252                  0.244                  0.005
 ROA2   Fr= 1--       9.613                  9.345                  0.087
 CID2   Fr= 1--      38.157                 38.343                 17.528
 Raman3 Fr= 1--       0.504                  0.487                  0.010
 ROA3   Fr= 1--      55.825                 55.730                  0.384
 CID3   Fr= 1--     110.795                114.329                 38.883
 RC180  Fr= 1--       0.650                  0.496                  0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.01     0.02   0.09  -0.02    -0.01  -0.07   0.01
     2   6     0.04  -0.00   0.01    -0.08   0.01  -0.02     0.07  -0.01   0.01
     3   7     0.00   0.02  -0.02     0.02  -0.03   0.08    -0.03   0.02  -0.07
     4  45    -0.01  -0.00  -0.00     0.00  -0.01   0.00     0.00   0.00   0.04
     5   7    -0.00   0.02  -0.04     0.03  -0.03   0.07    -0.01   0.03  -0.07
     6   7     0.00  -0.03  -0.04    -0.02  -0.03  -0.07    -0.02  -0.02  -0.07
     7   6     0.06   0.02   0.01     0.06   0.03   0.02     0.06   0.02   0.01
     8   6    -0.02   0.05   0.02    -0.03   0.07   0.02    -0.03   0.06   0.01
     9   7    -0.00  -0.03  -0.06    -0.02  -0.02  -0.06    -0.00  -0.03  -0.07
    10   7    -0.04  -0.00   0.08     0.01   0.01  -0.03     0.03   0.02  -0.07
    11   6     0.06   0.08  -0.02    -0.01  -0.00   0.00    -0.04  -0.05   0.01
    12   6     0.07  -0.06  -0.02    -0.01   0.02   0.00    -0.05   0.04   0.01
    13   7    -0.04  -0.01   0.08     0.00   0.01   0.00     0.03  -0.01  -0.07
    14   1    -0.12   0.16   0.10    -0.14   0.20   0.12    -0.14   0.21   0.12
    15   1    -0.03  -0.11   0.11    -0.05  -0.12   0.12    -0.03  -0.14   0.13
    16   1     0.19   0.04   0.10     0.25   0.04   0.13     0.25   0.04   0.12
    17   1    -0.03  -0.09   0.09    -0.07  -0.12   0.13    -0.07  -0.12   0.13
    18   1     0.13   0.28  -0.16    -0.02  -0.05   0.03    -0.11  -0.23   0.12
    19   1    -0.16  -0.03  -0.16     0.03   0.02   0.03     0.14   0.04   0.13
    20   1     0.20  -0.24  -0.16    -0.03   0.03   0.02    -0.16   0.19   0.12
    21   1    -0.17  -0.01  -0.16     0.02   0.02   0.01     0.14  -0.01   0.13
    22   1     0.11   0.01   0.06    -0.29  -0.02  -0.15     0.25   0.02   0.12
    23   1    -0.03   0.05   0.05     0.10  -0.12  -0.15    -0.10   0.10   0.13
    24   1    -0.04  -0.12   0.06     0.10   0.27  -0.15    -0.09  -0.24   0.12
    25   1    -0.03   0.06   0.07     0.09  -0.12  -0.15    -0.07   0.13   0.13
    26   1    -0.03   0.04   0.09     0.02  -0.10  -0.12    -0.00   0.09   0.06
    27   1    -0.05   0.13  -0.11     0.11  -0.17   0.16    -0.08   0.10  -0.12
    28   1    -0.04   0.00   0.02     0.09  -0.07  -0.15    -0.08   0.03   0.06
    29   1    -0.01   0.04  -0.03     0.17  -0.17   0.19    -0.08   0.10  -0.12
    30   1    -0.11   0.02  -0.15     0.00  -0.02  -0.02     0.08  -0.04   0.06
    31   1    -0.24  -0.00   0.19    -0.02   0.02   0.01     0.13   0.01  -0.12
    32   1    -0.10  -0.05  -0.14     0.03  -0.00   0.06     0.06   0.06   0.06
    33   1    -0.22  -0.05   0.18     0.08   0.04  -0.07     0.13   0.02  -0.12
    34   1    -0.05  -0.04   0.06    -0.06  -0.08   0.14    -0.07  -0.05   0.06
    35   1    -0.03  -0.10  -0.09    -0.12  -0.19  -0.17    -0.05  -0.12  -0.12
    36   1    -0.02  -0.08   0.12     0.01  -0.09   0.09     0.02  -0.08   0.05
    37   1    -0.04  -0.19  -0.15    -0.06  -0.14  -0.13    -0.05  -0.12  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --    689.1541               689.9693               698.5177
 Red. masses --      1.2804                 1.2782                 1.4038
 Frc consts  --      0.3583                 0.3585                 0.4036
 IR Inten    --      1.4153                 1.3810                 1.3084
 RamAct Fr= 1--      0.9083                 0.8981                 0.0135
  Dep-P Fr= 1--      0.7373                 0.7455                 0.4813
  Dep-U Fr= 1--      0.8488                 0.8542                 0.6498
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0001
 Beta2  Fr= 1--      0.1285                 0.1279                 0.0015
 AlphaG Fr= 1--     -0.0002                 0.0001                -0.0004
 Gamma2 Fr= 1--      4.6960                 4.6486                -0.0059
 Delta2 Fr= 1--      0.0083                -0.0293                -0.0013
 Raman1 Fr= 1--       3.633                  3.592                  0.054
 ROA1   Fr= 1--     451.085                445.332                 -0.612
 CID1   Fr= 1--     124.163                123.963                -11.360
 Raman2 Fr= 1--       1.542                  1.534                  0.018
 ROA2   Fr= 1--     112.638                111.802                 -0.132
 CID2   Fr= 1--      73.054                 72.867                 -7.519
 Raman3 Fr= 1--       3.084                  3.069                  0.035
 ROA3   Fr= 1--     451.085                445.332                 -0.612
 CID3   Fr= 1--     146.281                145.123                -17.482
 RC180  Fr= 1--       0.698                  0.708                  0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.02   0.00  -0.01    -0.00   0.03  -0.01
     2   6     0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.03   0.01  -0.01
     3   7    -0.03   0.03   0.01     0.03  -0.06  -0.02     0.01  -0.06  -0.01
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     5   7     0.03  -0.03  -0.02    -0.04   0.05   0.01     0.05  -0.03  -0.01
     6   7     0.02   0.03  -0.00     0.02   0.07  -0.02    -0.00   0.06  -0.01
     7   6    -0.01   0.01   0.01    -0.00   0.02  -0.00    -0.03  -0.02  -0.01
     8   6    -0.00  -0.01   0.01    -0.02  -0.01  -0.00     0.01  -0.03  -0.01
     9   7    -0.02  -0.02   0.02    -0.03  -0.06   0.02     0.05   0.04  -0.01
    10   7    -0.08  -0.00  -0.02    -0.01  -0.01   0.01    -0.06   0.02  -0.01
    11   6    -0.01   0.01   0.00     0.00   0.01   0.01     0.03   0.02  -0.01
    12   6     0.01   0.01  -0.00     0.00  -0.00   0.01     0.03  -0.02  -0.01
    13   7     0.07   0.02   0.02     0.00   0.01   0.01    -0.05  -0.03  -0.01
    14   1     0.06  -0.06  -0.03     0.08  -0.05  -0.01    -0.03  -0.06  -0.06
    15   1     0.00   0.07  -0.04    -0.00   0.06  -0.04     0.04  -0.00   0.01
    16   1     0.02  -0.02  -0.01     0.12  -0.01   0.03    -0.03  -0.06  -0.06
    17   1    -0.01  -0.00   0.00    -0.07  -0.07   0.05    -0.02   0.03   0.00
    18   1    -0.01  -0.12   0.02     0.02   0.03  -0.02     0.07   0.01  -0.06
    19   1     0.08   0.05   0.05    -0.03  -0.01  -0.02    -0.02   0.03   0.00
    20   1     0.04  -0.11  -0.02     0.03  -0.04  -0.02     0.07   0.01  -0.06
    21   1    -0.08   0.02  -0.05    -0.04   0.01  -0.02    -0.01  -0.04   0.00
    22   1    -0.03  -0.02   0.00     0.11   0.04   0.03    -0.04   0.05  -0.06
    23   1     0.02  -0.01  -0.01    -0.08   0.05   0.05    -0.02  -0.03   0.00
    24   1    -0.05  -0.08   0.03     0.05   0.06  -0.01    -0.04   0.06  -0.06
    25   1    -0.02   0.08   0.04     0.01  -0.05  -0.03     0.04   0.01   0.00
    26   1    -0.09  -0.05   0.23     0.10   0.07  -0.29    -0.12  -0.11   0.24
    27   1    -0.07   0.18  -0.14     0.07  -0.22   0.17    -0.04   0.20  -0.14
    28   1    -0.06  -0.04  -0.18     0.11   0.10   0.32     0.14   0.10   0.25
    29   1     0.12  -0.07   0.10    -0.21   0.15  -0.20    -0.19   0.09  -0.15
    30   1     0.01  -0.16  -0.36    -0.00  -0.03  -0.05    -0.03   0.17   0.25
    31   1    -0.29   0.05   0.22    -0.05  -0.00   0.04     0.20  -0.07  -0.14
    32   1     0.03  -0.16   0.37    -0.01   0.01   0.00     0.01  -0.17   0.24
    33   1     0.27   0.13  -0.23    -0.01   0.01   0.01     0.17   0.11  -0.14
    34   1     0.05  -0.02   0.14     0.14  -0.07   0.34     0.15  -0.06   0.24
    35   1    -0.07  -0.08  -0.08    -0.18  -0.22  -0.21    -0.15  -0.13  -0.14
    36   1     0.08  -0.02  -0.18     0.12  -0.05  -0.32    -0.16   0.07   0.26
    37   1     0.02   0.15   0.11     0.02   0.25   0.19     0.01  -0.21  -0.15
                     28                     29                     30
                      A                      A                      A
 Frequencies --    716.1516               771.0379               771.9750
 Red. masses --      1.3168                 1.4415                 1.4397
 Frc consts  --      0.3979                 0.5049                 0.5055
 IR Inten    --      0.0013                17.4278                17.5667
 RamAct Fr= 1--      1.7481                 0.6824                 0.7191
  Dep-P Fr= 1--      0.1338                 0.7408                 0.7499
  Dep-U Fr= 1--      0.2360                 0.8511                 0.8571
 Alpha2 Fr= 1--      0.0282                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0688                 0.0968                 0.1027
 AlphaG Fr= 1--     -0.3476                 0.0001                 0.0000
 Gamma2 Fr= 1--     -3.2681                -2.0604                -2.1395
 Delta2 Fr= 1--      0.4690                -0.0209                 0.0276
 Raman1 Fr= 1--       6.993                  2.730                  2.877
 ROA1   Fr= 1--    -298.731               -198.464               -204.511
 CID1   Fr= 1--     -42.721                -72.703                -71.095
 Raman2 Fr= 1--       0.825                  1.162                  1.233
 ROA2   Fr= 1--     -82.186                -49.282                -51.570
 CID2   Fr= 1--     -99.608                -42.422                -41.835
 Raman3 Fr= 1--       1.650                  2.323                  2.465
 ROA3   Fr= 1--    -298.731               -198.464               -204.511
 CID3   Fr= 1--    -181.028                -85.420                -82.952
 RC180  Fr= 1--      -0.528                  0.702                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.00    -0.00  -0.03  -0.01     0.01  -0.03  -0.01
     2   6     0.00   0.02  -0.00     0.02  -0.01  -0.01     0.04  -0.01  -0.01
     3   7    -0.03   0.05   0.01    -0.03   0.04   0.01    -0.04   0.06   0.02
     4  45     0.00   0.00   0.00     0.02  -0.00   0.00    -0.00  -0.02   0.00
     5   7     0.04  -0.05  -0.01    -0.04   0.04   0.01    -0.05   0.05   0.01
     6   7     0.02   0.06  -0.01    -0.01  -0.03   0.00     0.02   0.08  -0.02
     7   6    -0.01   0.01   0.00     0.01   0.01  -0.00    -0.03  -0.02   0.01
     8   6    -0.02  -0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.04   0.01
     9   7    -0.03  -0.05   0.01    -0.02  -0.03   0.01     0.04   0.07  -0.01
    10   7     0.06   0.00   0.01    -0.09  -0.00  -0.02     0.01   0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.03   0.03   0.01    -0.00   0.00  -0.00
    12   6    -0.01  -0.01   0.00     0.04  -0.02   0.01    -0.01   0.01  -0.00
    13   7    -0.06  -0.01  -0.01    -0.09  -0.02  -0.02     0.01   0.01   0.01
    14   1     0.06  -0.05  -0.02     0.01   0.06   0.04    -0.01  -0.14  -0.11
    15   1     0.00   0.08  -0.04    -0.02  -0.02   0.00     0.05   0.07  -0.01
    16   1     0.08  -0.01   0.02     0.04   0.04   0.05    -0.09  -0.11  -0.11
    17   1    -0.06  -0.06   0.04    -0.01  -0.04   0.00     0.01   0.08  -0.01
    18   1     0.01   0.08  -0.02     0.14   0.06  -0.12    -0.02  -0.01   0.02
    19   1    -0.07  -0.04  -0.04    -0.09   0.01  -0.01     0.02   0.01   0.00
    20   1    -0.03   0.07   0.02     0.15  -0.03  -0.12    -0.02  -0.00   0.01
    21   1     0.08  -0.02   0.04    -0.08  -0.03  -0.01     0.01   0.01   0.00
    22   1    -0.08  -0.03  -0.02     0.08  -0.05   0.07     0.10  -0.07   0.09
    23   1     0.07  -0.04  -0.04    -0.03   0.05   0.01    -0.02   0.07   0.01
    24   1    -0.05  -0.07   0.02     0.03  -0.09   0.07     0.04  -0.12   0.09
    25   1    -0.02   0.08   0.04    -0.04   0.03   0.01    -0.05   0.05   0.01
    26   1    -0.10  -0.08   0.26     0.10   0.09  -0.21     0.12   0.11  -0.27
    27   1    -0.08   0.19  -0.16     0.03  -0.17   0.13     0.04  -0.22   0.15
    28   1    -0.10  -0.07  -0.26    -0.11  -0.06  -0.20    -0.14  -0.09  -0.27
    29   1     0.16  -0.13   0.16     0.15  -0.08   0.12     0.20  -0.10   0.16
    30   1    -0.02   0.12   0.26    -0.05   0.20   0.34     0.01  -0.03  -0.05
    31   1     0.20  -0.03  -0.16     0.26  -0.09  -0.20    -0.04   0.02   0.03
    32   1    -0.01   0.12  -0.25     0.01  -0.20   0.33     0.00   0.02  -0.04
    33   1    -0.18  -0.08   0.15     0.23   0.16  -0.20    -0.03  -0.02   0.02
    34   1     0.12  -0.05   0.26    -0.07   0.02  -0.13     0.18  -0.06   0.31
    35   1    -0.13  -0.17  -0.16     0.08   0.07   0.07    -0.20  -0.17  -0.19
    36   1     0.11  -0.05  -0.25     0.07  -0.04  -0.13    -0.17   0.09   0.31
    37   1     0.03   0.20   0.16    -0.01   0.11   0.08     0.02  -0.26  -0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.4167               866.4630               868.8075
 Red. masses --      3.0280                 3.0075                 3.2052
 Frc consts  --      1.3392                 1.3303                 1.4254
 IR Inten    --     14.2994                14.2424                 0.0312
 RamAct Fr= 1--      0.5197                 0.5133                10.2390
  Dep-P Fr= 1--      0.7455                 0.7023                 0.0117
  Dep-U Fr= 1--      0.8542                 0.8251                 0.0232
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.2214
 Beta2  Fr= 1--      0.0740                 0.0706                 0.0395
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0434
 Gamma2 Fr= 1--      2.4185                 2.4549                -1.7343
 Delta2 Fr= 1--      1.3861                 1.3311                -1.2180
 Raman1 Fr= 1--       2.079                  2.053                 40.956
 ROA1   Fr= 1--     276.531                278.265               -205.466
 CID1   Fr= 1--     133.028                135.520                 -5.017
 Raman2 Fr= 1--       0.888                  0.847                  0.474
 ROA2   Fr= 1--      46.955                 48.268                -31.878
 CID2   Fr= 1--      52.887                 56.979                -67.194
 Raman3 Fr= 1--       1.776                  1.694                  0.949
 ROA3   Fr= 1--     276.531                278.265               -205.466
 CID3   Fr= 1--     155.732                164.243               -216.543
 RC180  Fr= 1--       0.708                  0.650                 -0.954
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.07     0.04   0.16  -0.03    -0.03  -0.13   0.02
     2   6     0.04  -0.01   0.07     0.16  -0.00   0.01    -0.13   0.00  -0.00
     3   7     0.02   0.04  -0.04    -0.06  -0.09   0.06     0.05   0.07  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.08  -0.03  -0.06    -0.08  -0.03  -0.05     0.07   0.03   0.04
     6   7    -0.09   0.08   0.08     0.01  -0.02  -0.02    -0.09   0.07   0.07
     7   6     0.15   0.04  -0.01     0.06   0.03   0.08     0.14   0.04  -0.01
     8   6     0.07  -0.14  -0.04     0.04  -0.05   0.06     0.07  -0.13  -0.04
     9   7    -0.07   0.01  -0.04    -0.10   0.01  -0.07    -0.07   0.01  -0.03
    10   7    -0.05   0.12   0.08     0.00  -0.01   0.00     0.04  -0.10  -0.07
    11   6    -0.06  -0.12  -0.03     0.07   0.10  -0.07     0.07   0.12  -0.00
    12   6     0.11  -0.09  -0.06    -0.07   0.08  -0.05    -0.11   0.10   0.03
    13   7     0.00   0.04  -0.02    -0.02  -0.12   0.08    -0.01  -0.08   0.04
    14   1    -0.05  -0.00   0.06     0.06  -0.16  -0.05    -0.05   0.00   0.05
    15   1    -0.08  -0.37  -0.07     0.02   0.09  -0.04    -0.08  -0.35  -0.07
    16   1     0.08   0.07  -0.01    -0.13  -0.02  -0.08     0.07   0.08  -0.00
    17   1     0.12   0.18   0.08     0.18   0.28   0.03     0.11   0.17   0.07
    18   1    -0.11  -0.09   0.01    -0.03  -0.11   0.08     0.08   0.02   0.01
    19   1    -0.12  -0.04   0.07     0.38   0.12  -0.05     0.23   0.08  -0.07
    20   1    -0.02   0.07   0.07    -0.14   0.08   0.04    -0.03  -0.04  -0.04
    21   1     0.40  -0.02  -0.06    -0.03   0.00   0.06    -0.33   0.02   0.07
    22   1    -0.15  -0.00  -0.07     0.06  -0.05  -0.03    -0.05   0.04   0.02
    23   1     0.20  -0.19   0.01     0.20  -0.18   0.08    -0.16   0.15  -0.06
    24   1     0.02   0.16  -0.06    -0.04   0.03   0.04     0.03  -0.02  -0.03
    25   1     0.07  -0.14  -0.02    -0.15   0.29  -0.08     0.13  -0.24   0.06
    26   1    -0.02   0.01  -0.13    -0.15  -0.12  -0.11     0.12   0.10   0.10
    27   1     0.00  -0.02  -0.03    -0.05  -0.07  -0.03     0.03   0.06   0.01
    28   1    -0.06  -0.02  -0.08    -0.15  -0.12   0.14     0.12   0.09  -0.13
    29   1    -0.02  -0.02  -0.02    -0.08  -0.03   0.03     0.06   0.01  -0.02
    30   1    -0.04   0.18  -0.04    -0.00  -0.12   0.17     0.03  -0.18   0.09
    31   1    -0.02   0.07  -0.01     0.03  -0.05   0.04     0.03  -0.07   0.02
    32   1    -0.03   0.15   0.17     0.00  -0.15   0.00     0.02  -0.17  -0.13
    33   1     0.02   0.07   0.04    -0.00  -0.07   0.00    -0.01  -0.08  -0.03
    34   1    -0.16   0.08   0.16    -0.10   0.02  -0.05    -0.16   0.07   0.15
    35   1    -0.08   0.01   0.04    -0.04   0.01  -0.01    -0.07   0.00   0.04
    36   1    -0.18   0.08  -0.08    -0.06   0.00  -0.15    -0.16   0.08  -0.08
    37   1    -0.07   0.05  -0.02    -0.01   0.03  -0.03    -0.06   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9604               869.0746               878.0459
 Red. masses --      2.6494                 2.6150                 2.4581
 Frc consts  --      1.1787                 1.1637                 1.1165
 IR Inten    --      0.0504                 0.0109                 0.2974
 RamAct Fr= 1--      3.5479                 3.3131                 0.0022
  Dep-P Fr= 1--      0.6410                 0.7451                 0.6619
  Dep-U Fr= 1--      0.7813                 0.8539                 0.7966
 Alpha2 Fr= 1--      0.0070                 0.0003                 0.0000
 Beta2  Fr= 1--      0.4620                 0.4715                 0.0003
 AlphaG Fr= 1--     -0.0014                -0.0001                -0.0000
 Gamma2 Fr= 1--     -0.6000                -0.4028                 0.0036
 Delta2 Fr= 1--     -0.9893                -0.9825                 0.0005
 Raman1 Fr= 1--      14.192                 13.252                  0.009
 ROA1   Fr= 1--     -89.260                -70.106                  0.357
 CID1   Fr= 1--      -6.290                 -5.290                 40.071
 Raman2 Fr= 1--       5.544                  5.658                  0.004
 ROA2   Fr= 1--      -6.486                 -1.806                  0.082
 CID2   Fr= 1--      -1.170                 -0.319                 23.123
 Raman3 Fr= 1--      11.087                 11.316                  0.007
 ROA3   Fr= 1--     -89.260                -70.106                  0.357
 CID3   Fr= 1--      -8.051                 -6.195                 50.303
 RC180  Fr= 1--       0.563                  0.708                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.11  -0.00     0.01  -0.03   0.12     0.01  -0.01   0.09
     2   6     0.12  -0.00   0.03    -0.00  -0.02   0.11     0.00  -0.01   0.09
     3   7    -0.04  -0.04   0.04     0.06   0.09  -0.09     0.05   0.05  -0.08
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.01
     5   7    -0.07  -0.04  -0.06    -0.09  -0.02  -0.08    -0.06  -0.03  -0.08
     6   7    -0.07   0.06   0.08     0.01   0.00  -0.01     0.06  -0.04  -0.08
     7   6     0.01  -0.02  -0.10    -0.09  -0.03  -0.06     0.00   0.01   0.09
     8   6    -0.00  -0.03  -0.11    -0.05   0.07  -0.03     0.01   0.01   0.09
     9   7     0.09   0.00   0.07     0.09  -0.02   0.07    -0.07   0.01  -0.08
    10   7     0.04  -0.09  -0.09    -0.02   0.02   0.02     0.02  -0.07  -0.08
    11   6     0.00   0.03   0.08     0.04   0.06  -0.08    -0.01   0.00   0.09
    12   6    -0.04   0.02   0.10    -0.03   0.05  -0.06    -0.01  -0.01   0.09
    13   7     0.02   0.06  -0.05    -0.01  -0.10   0.08     0.00   0.07  -0.08
    14   1    -0.10   0.21   0.11     0.01   0.10   0.03     0.05  -0.20  -0.11
    15   1    -0.08  -0.33  -0.00    -0.00   0.07   0.03     0.08   0.27   0.02
    16   1     0.19   0.09   0.10     0.12  -0.01   0.07    -0.18  -0.10  -0.11
    17   1    -0.14  -0.24  -0.00    -0.19  -0.28  -0.03     0.13   0.25   0.02
    18   1     0.13   0.13  -0.08    -0.07  -0.16   0.09     0.14   0.14  -0.11
    19   1    -0.18  -0.04  -0.01     0.35   0.11  -0.02    -0.27  -0.06   0.02
    20   1     0.14  -0.15  -0.10    -0.13   0.06   0.06     0.17  -0.10  -0.11
    21   1    -0.36   0.02   0.01     0.07   0.01   0.02    -0.28  -0.01   0.02
    22   1    -0.05  -0.05  -0.04    -0.24   0.03  -0.11    -0.20   0.05  -0.12
    23   1     0.23  -0.20   0.04     0.22  -0.22  -0.00     0.19  -0.21   0.02
    24   1    -0.06   0.03   0.01     0.04   0.24  -0.12     0.00   0.21  -0.12
    25   1    -0.08   0.19  -0.04     0.17  -0.32   0.01     0.15  -0.24   0.02
    26   1    -0.12  -0.08  -0.07     0.01   0.05  -0.13    -0.03   0.02  -0.05
    27   1    -0.07  -0.05  -0.06     0.02   0.01  -0.05    -0.03   0.03  -0.09
    28   1    -0.12  -0.09   0.03    -0.03   0.03  -0.14    -0.01   0.03  -0.05
    29   1    -0.07  -0.05   0.04    -0.00   0.00  -0.06    -0.03   0.03  -0.09
    30   1     0.04  -0.06  -0.10    -0.02  -0.07   0.10     0.03   0.02  -0.04
    31   1     0.00  -0.04  -0.02    -0.00  -0.05   0.07     0.04   0.00  -0.09
    32   1     0.04  -0.03  -0.11    -0.01  -0.10   0.07     0.03  -0.01  -0.05
    33   1     0.01  -0.02  -0.07     0.01  -0.06   0.00     0.04   0.00  -0.09
    34   1     0.02   0.03   0.12     0.12  -0.03   0.02     0.00  -0.03  -0.05
    35   1    -0.00   0.01   0.06     0.07  -0.03  -0.02    -0.02  -0.04  -0.09
    36   1    -0.02   0.04   0.13     0.10  -0.02   0.08    -0.03  -0.02  -0.05
    37   1    -0.02   0.01   0.04     0.06  -0.02   0.06    -0.02  -0.04  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --    980.6483               983.4730               983.5712
 Red. masses --      2.2217                 2.2430                 2.2466
 Frc consts  --      1.2588                 1.2782                 1.2805
 IR Inten    --     12.9008                 0.0167                 0.0172
 RamAct Fr= 1--      0.0089                 3.3512                 3.4108
  Dep-P Fr= 1--      0.7500                 0.7498                 0.7498
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0013                 0.4787                 0.4872
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0011                -0.0304                -0.0350
 Delta2 Fr= 1--     -0.0040                -1.3706                -1.4036
 Raman1 Fr= 1--       0.035                 13.405                 13.643
 ROA1   Fr= 1--      -0.237                -46.773                -48.279
 CID1   Fr= 1--      -6.689                 -3.489                 -3.539
 Raman2 Fr= 1--       0.015                  5.744                  5.846
 ROA2   Fr= 1--       0.005                 10.236                 10.389
 CID2   Fr= 1--       0.335                  1.782                  1.777
 Raman3 Fr= 1--       0.030                 11.488                 11.692
 ROA3   Fr= 1--      -0.237                -46.773                -48.279
 CID3   Fr= 1--      -7.804                 -4.071                 -4.129
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07   0.00     0.05   0.03  -0.00    -0.13  -0.10  -0.01
     2   6    -0.09  -0.07   0.00    -0.04  -0.03   0.01     0.13   0.10  -0.00
     3   7     0.04   0.03  -0.01     0.02   0.01  -0.01    -0.07  -0.04   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.04  -0.03  -0.01    -0.02  -0.02  -0.00     0.06   0.05   0.02
     6   7     0.05  -0.02  -0.01     0.05  -0.02  -0.02     0.05  -0.02  -0.01
     7   6    -0.11   0.05   0.00    -0.11   0.04   0.01    -0.11   0.05   0.00
     8   6     0.11  -0.05   0.00     0.12  -0.05   0.00     0.11  -0.05   0.01
     9   7    -0.05   0.02  -0.01    -0.05   0.03  -0.01    -0.05   0.02  -0.02
    10   7     0.01  -0.06  -0.02    -0.01   0.08   0.02     0.00  -0.02  -0.00
    11   6    -0.02   0.13   0.00     0.02  -0.16  -0.01    -0.01   0.04  -0.00
    12   6     0.02  -0.13   0.00    -0.02   0.16  -0.00     0.01  -0.03   0.01
    13   7    -0.01   0.06  -0.02     0.01  -0.08   0.02    -0.00   0.02  -0.01
    14   1    -0.00   0.13   0.15    -0.03   0.14   0.14    -0.00   0.10   0.13
    15   1     0.13  -0.19   0.12     0.14  -0.21   0.14     0.13  -0.18   0.12
    16   1     0.10   0.09   0.15     0.08   0.08   0.14     0.11   0.07   0.14
    17   1    -0.23  -0.05   0.12    -0.23  -0.03   0.12    -0.24  -0.04   0.13
    18   1    -0.12  -0.07   0.16     0.13   0.09  -0.18    -0.04  -0.05   0.04
    19   1     0.11   0.22   0.13    -0.13  -0.28  -0.17     0.04   0.07   0.05
    20   1    -0.13   0.04   0.16     0.15  -0.07  -0.18    -0.02  -0.01   0.04
    21   1     0.16  -0.19   0.13    -0.20   0.25  -0.17     0.03  -0.05   0.03
    22   1     0.11  -0.06   0.14     0.02  -0.03   0.06    -0.16   0.06  -0.19
    23   1    -0.22  -0.01   0.11    -0.09  -0.02   0.05     0.33   0.03  -0.18
    24   1     0.03  -0.12   0.14    -0.00  -0.07   0.06    -0.03   0.16  -0.19
    25   1     0.07   0.21   0.11     0.03   0.11   0.06    -0.12  -0.30  -0.18
    26   1    -0.11  -0.11  -0.04    -0.04  -0.04  -0.00     0.17   0.16   0.04
    27   1    -0.05  -0.08  -0.00    -0.05  -0.05  -0.01     0.10   0.12   0.01
    28   1     0.14   0.08  -0.04     0.07   0.04  -0.02    -0.19  -0.11   0.03
    29   1     0.09   0.03  -0.00     0.03   0.01  -0.00    -0.16  -0.07   0.01
    30   1    -0.04   0.17  -0.05     0.05  -0.21   0.03    -0.02   0.06  -0.02
    31   1    -0.05   0.10  -0.00     0.05  -0.16   0.01    -0.01   0.01  -0.00
    32   1     0.00  -0.18  -0.04    -0.00   0.22   0.03     0.00  -0.04   0.00
    33   1    -0.02  -0.11  -0.00     0.02   0.15   0.01     0.00  -0.06  -0.01
    34   1     0.16  -0.04  -0.04     0.17  -0.05  -0.03     0.15  -0.04  -0.02
    35   1     0.11  -0.01  -0.00     0.10  -0.01  -0.01     0.13  -0.03  -0.01
    36   1    -0.15   0.08  -0.04    -0.14   0.08  -0.02    -0.15   0.08  -0.03
    37   1    -0.08   0.07  -0.00    -0.12   0.07  -0.01    -0.08   0.06  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.4770              1001.5054              1006.7972
 Red. masses --      1.2593                 1.2586                 1.2611
 Frc consts  --      0.7442                 0.7438                 0.7532
 IR Inten    --      6.2414                 6.3425                 0.0080
 RamAct Fr= 1--      0.2239                 0.2070                 1.2019
  Dep-P Fr= 1--      0.7495                 0.7437                 0.0631
  Dep-U Fr= 1--      0.8568                 0.8530                 0.1186
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0230
 Beta2  Fr= 1--      0.0320                 0.0294                 0.0238
 AlphaG Fr= 1--     -0.0001                 0.0002                 0.2302
 Gamma2 Fr= 1--      1.3945                 1.3597                -0.9010
 Delta2 Fr= 1--     -0.2123                -0.2112                -0.1845
 Raman1 Fr= 1--       0.896                  0.828                  4.808
 ROA1   Fr= 1--     127.075                123.776                -92.399
 CID1   Fr= 1--     141.883                149.475                -19.219
 Raman2 Fr= 1--       0.384                  0.353                  0.285
 ROA2   Fr= 1--      35.166                 34.323                -20.148
 CID2   Fr= 1--      91.650                 97.179                -70.649
 Raman3 Fr= 1--       0.767                  0.706                  0.570
 ROA3   Fr= 1--     127.075                123.776                -92.399
 CID3   Fr= 1--     165.592                175.225               -161.995
 RC180  Fr= 1--       0.714                  0.706                 -0.763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.05    -0.00  -0.01   0.00     0.04  -0.03  -0.04
     2   6     0.02  -0.06  -0.05     0.01   0.01   0.01    -0.01   0.05   0.04
     3   7    -0.01   0.01   0.02    -0.00   0.00  -0.01     0.00  -0.01  -0.01
     4  45    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.01  -0.02    -0.00   0.00  -0.01    -0.01   0.00   0.01
     6   7     0.00  -0.00   0.01     0.00   0.01  -0.01     0.00  -0.01   0.01
     7   6    -0.01   0.04  -0.03    -0.01  -0.06   0.04     0.00   0.05  -0.04
     8   6    -0.02  -0.03   0.02     0.04   0.04  -0.04    -0.03  -0.03   0.04
     9   7     0.00   0.01  -0.00    -0.00  -0.00   0.02     0.01   0.01  -0.01
    10   7    -0.00   0.00  -0.01    -0.01  -0.00  -0.01    -0.01   0.00  -0.01
    11   6     0.03  -0.02   0.03     0.06  -0.01   0.04     0.04  -0.01   0.03
    12   6    -0.03  -0.01  -0.02    -0.05  -0.03  -0.05    -0.04  -0.02  -0.04
    13   7     0.01  -0.00   0.00     0.00   0.00   0.02     0.01   0.00   0.01
    14   1     0.12  -0.10   0.00    -0.19   0.19   0.03     0.16  -0.16  -0.02
    15   1    -0.02   0.09  -0.06     0.03  -0.20   0.09    -0.02   0.16  -0.07
    16   1     0.17   0.01   0.03    -0.26   0.01  -0.01     0.23  -0.01   0.02
    17   1    -0.11  -0.08   0.05     0.14   0.10  -0.09    -0.13  -0.10   0.07
    18   1     0.05   0.16  -0.03     0.06   0.26  -0.01     0.05   0.21  -0.02
    19   1    -0.11  -0.08  -0.06    -0.14  -0.12  -0.10    -0.12  -0.09  -0.07
    20   1    -0.06   0.14  -0.00    -0.14   0.24   0.03    -0.10   0.19   0.02
    21   1     0.08  -0.04   0.06     0.19  -0.08   0.10     0.14  -0.06   0.07
    22   1     0.29   0.09   0.02    -0.02   0.01  -0.02    -0.22  -0.07  -0.02
    23   1    -0.20   0.08   0.11     0.03  -0.02   0.00     0.15  -0.06  -0.08
    24   1     0.16   0.26  -0.03    -0.01   0.01  -0.02    -0.12  -0.20   0.02
    25   1     0.02  -0.22  -0.11     0.01  -0.02   0.00    -0.02   0.16   0.08
    26   1    -0.15  -0.16  -0.04     0.00   0.01  -0.00     0.12   0.13   0.02
    27   1     0.24   0.23  -0.00    -0.01  -0.01  -0.00    -0.17  -0.16   0.01
    28   1    -0.20  -0.10   0.04     0.01   0.01  -0.00     0.16   0.08  -0.03
    29   1     0.28   0.17   0.00    -0.00   0.00  -0.00    -0.20  -0.12  -0.00
    30   1     0.04  -0.11   0.02     0.06  -0.19   0.03     0.05  -0.15   0.02
    31   1    -0.04   0.18  -0.00    -0.07   0.29   0.00    -0.05   0.21   0.00
    32   1    -0.00  -0.12  -0.02    -0.01  -0.20  -0.03    -0.01  -0.16  -0.02
    33   1    -0.00   0.17  -0.01    -0.01   0.30  -0.00    -0.01   0.22  -0.00
    34   1    -0.12   0.03   0.02     0.19  -0.04  -0.03    -0.17   0.03   0.02
    35   1     0.16  -0.05   0.00    -0.28   0.08  -0.00     0.22  -0.07   0.00
    36   1    -0.10   0.07  -0.02     0.16  -0.10   0.03    -0.14   0.10  -0.02
    37   1     0.16  -0.09   0.00    -0.25   0.13   0.00     0.20  -0.11  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1049.6630              1049.7303              1049.9257
 Red. masses --      3.1624                 3.1638                 3.1584
 Frc consts  --      2.0529                 2.0541                 2.0513
 IR Inten    --     31.9824                52.0744                55.1355
 RamAct Fr= 1--      1.0308                 0.8997                 0.8591
  Dep-P Fr= 1--      0.5716                 0.6241                 0.6719
  Dep-U Fr= 1--      0.7274                 0.7686                 0.8038
 Alpha2 Fr= 1--      0.0035                 0.0021                 0.0012
 Beta2  Fr= 1--      0.1250                 0.1153                 0.1151
 AlphaG Fr= 1--      0.0224                 0.0120                 0.0081
 Gamma2 Fr= 1--     -0.5719                -0.6187                -0.5391
 Delta2 Fr= 1--     -0.8735                -1.2240                -1.2313
 Raman1 Fr= 1--       4.123                  3.599                  3.436
 ROA1   Fr= 1--     -82.849                -98.560                -91.158
 CID1   Fr= 1--     -20.093                -27.386                -26.527
 Raman2 Fr= 1--       1.500                  1.383                  1.381
 ROA2   Fr= 1--      -6.737                 -5.056                 -3.089
 CID2   Fr= 1--      -4.492                 -3.656                 -2.237
 Raman3 Fr= 1--       2.999                  2.766                  2.762
 ROA3   Fr= 1--     -82.849                -98.560                -91.158
 CID3   Fr= 1--     -27.622                -35.633                -33.003
 RC180  Fr= 1--       0.455                  0.537                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.03  -0.01   0.03     0.18  -0.07   0.18
     2   6     0.00  -0.01   0.01    -0.00   0.03  -0.03    -0.02   0.19  -0.18
     3   7     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.11  -0.07   0.07
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00   0.00    -0.02  -0.01  -0.01    -0.10  -0.09  -0.07
     6   7    -0.03   0.01   0.02     0.12  -0.04  -0.07    -0.02   0.01   0.01
     7   6     0.01  -0.04  -0.04    -0.03   0.18   0.17     0.00  -0.03  -0.03
     8   6     0.04   0.02   0.04    -0.15  -0.11  -0.18     0.03   0.02   0.03
     9   7    -0.03   0.01  -0.02     0.12  -0.06   0.07    -0.02   0.01  -0.01
    10   7     0.01  -0.13  -0.07     0.00  -0.03  -0.02    -0.00  -0.01  -0.00
    11   6    -0.17   0.08   0.18    -0.04   0.02   0.04    -0.01   0.00   0.01
    12   6     0.14   0.12  -0.18     0.04   0.03  -0.04     0.01   0.00  -0.00
    13   7     0.02  -0.13   0.07     0.01  -0.03   0.02     0.00  -0.00   0.00
    14   1     0.08   0.02   0.06    -0.27  -0.09  -0.20     0.05   0.02   0.04
    15   1     0.07   0.07   0.05    -0.29  -0.29  -0.21     0.04   0.04   0.04
    16   1     0.03  -0.05  -0.04    -0.13   0.26   0.20     0.01  -0.03  -0.03
    17   1    -0.00  -0.11  -0.05     0.00   0.41   0.21     0.00  -0.07  -0.04
    18   1    -0.22   0.19   0.20    -0.06   0.05   0.06     0.00  -0.00  -0.00
    19   1    -0.40   0.11   0.21    -0.09   0.03   0.05    -0.02   0.00   0.01
    20   1     0.16   0.24  -0.20     0.04   0.05  -0.04     0.01   0.02  -0.01
    21   1     0.36   0.20  -0.21     0.09   0.05  -0.06     0.00   0.00  -0.01
    22   1    -0.00  -0.01   0.01     0.01   0.06  -0.04     0.06   0.29  -0.21
    23   1     0.01  -0.04   0.02    -0.02   0.06  -0.03    -0.11   0.41  -0.22
    24   1    -0.03   0.00  -0.02     0.03  -0.00   0.02     0.30  -0.02   0.21
    25   1    -0.02   0.02  -0.01     0.06  -0.04   0.03     0.36  -0.21   0.22
    26   1    -0.00  -0.01   0.00     0.02   0.02  -0.01     0.11   0.13  -0.07
    27   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01    -0.04  -0.00  -0.08
    28   1    -0.01  -0.01  -0.00     0.02   0.01   0.01     0.15   0.07   0.07
    29   1     0.01   0.00  -0.00     0.01   0.00   0.01    -0.02  -0.04   0.08
    30   1    -0.05   0.16   0.06    -0.01   0.05   0.02    -0.00   0.00   0.00
    31   1    -0.02  -0.04   0.08    -0.01  -0.02   0.03    -0.01   0.01   0.00
    32   1     0.01   0.17  -0.06     0.00   0.04  -0.02    -0.00   0.01  -0.00
    33   1     0.03  -0.04  -0.08     0.01   0.00  -0.02     0.00  -0.02  -0.01
    34   1     0.04  -0.01   0.01    -0.16   0.03  -0.06     0.03  -0.01   0.01
    35   1    -0.02   0.01   0.02     0.02  -0.04  -0.08    -0.02   0.01   0.02
    36   1     0.03  -0.02  -0.02    -0.14   0.09   0.06     0.02  -0.01  -0.01
    37   1     0.00  -0.00  -0.01     0.05   0.01   0.08     0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.3346              1114.5642              1123.4124
 Red. masses --      1.0233                 1.0232                 1.0327
 Frc consts  --      0.7487                 0.7489                 0.7679
 IR Inten    --      1.3660                 1.4127                 0.2303
 RamAct Fr= 1--      0.8184                 0.7581                 0.0069
  Dep-P Fr= 1--      0.7481                 0.7491                 0.5378
  Dep-U Fr= 1--      0.8559                 0.8565                 0.6995
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1167                 0.1082                 0.0008
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.9846                 0.9482                 0.0014
 Delta2 Fr= 1--      0.2558                 0.2505                -0.0006
 Raman1 Fr= 1--       3.273                  3.032                  0.028
 ROA1   Fr= 1--     102.708                 99.039                  0.112
 CID1   Fr= 1--      31.376                 32.660                  4.070
 Raman2 Fr= 1--       1.401                  1.299                  0.010
 ROA2   Fr= 1--      21.585                 20.752                  0.037
 CID2   Fr= 1--      15.408                 15.979                  3.834
 Raman3 Fr= 1--       2.802                  2.597                  0.019
 ROA3   Fr= 1--     102.708                 99.039                  0.112
 CID3   Fr= 1--      36.659                 38.130                  5.818
 RC180  Fr= 1--       0.712                  0.713                  0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00  -0.00
     3   7     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00  -0.00    -0.01  -0.01  -0.01     0.01  -0.00   0.01
     6   7     0.01  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.01   0.01
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.02  -0.00   0.01     0.01   0.01   0.01
    10   7    -0.01   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    13   7    -0.00  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.01
    14   1     0.06   0.03   0.05    -0.24  -0.08  -0.18    -0.19  -0.06  -0.14
    15   1    -0.03  -0.01  -0.03     0.13   0.03   0.12     0.09  -0.00   0.09
    16   1    -0.04   0.06   0.05     0.11  -0.23  -0.19     0.09  -0.18  -0.14
    17   1     0.02  -0.03  -0.03    -0.07   0.12   0.12    -0.07   0.06   0.09
    18   1     0.20  -0.17  -0.19    -0.05   0.05   0.05     0.14  -0.13  -0.13
    19   1    -0.09   0.10   0.12     0.02  -0.03  -0.04    -0.04   0.08   0.08
    20   1     0.15   0.22  -0.19    -0.05  -0.05   0.05     0.10   0.16  -0.13
    21   1    -0.07  -0.12   0.12     0.02   0.03  -0.03    -0.02  -0.09   0.09
    22   1    -0.04  -0.19   0.13    -0.03  -0.19   0.14     0.04   0.19  -0.14
    23   1     0.03   0.10  -0.09     0.02   0.09  -0.09    -0.05  -0.08   0.09
    24   1     0.19  -0.02   0.14     0.19  -0.01   0.13    -0.20   0.01  -0.14
    25   1    -0.10   0.00  -0.09    -0.10  -0.01  -0.09     0.09   0.03   0.09
    26   1    -0.08  -0.09  -0.06    -0.07  -0.08  -0.06     0.10   0.11   0.07
    27   1     0.21   0.17   0.02     0.22   0.18   0.02    -0.20  -0.16  -0.02
    28   1     0.10   0.05  -0.06     0.11   0.05  -0.06    -0.14  -0.07   0.07
    29   1    -0.23  -0.16   0.02    -0.22  -0.15   0.02     0.20   0.15  -0.02
    30   1     0.05  -0.15   0.08    -0.02   0.05  -0.02     0.04  -0.14   0.07
    31   1    -0.06   0.38  -0.03     0.02  -0.10   0.01    -0.04   0.25  -0.02
    32   1     0.01   0.16   0.08    -0.00  -0.04  -0.02     0.01   0.15   0.07
    33   1     0.03  -0.38  -0.03    -0.01   0.12   0.01     0.03  -0.25  -0.02
    34   1     0.03  -0.00  -0.02    -0.16   0.03   0.08    -0.15   0.04   0.07
    35   1    -0.10   0.04   0.00     0.35  -0.13  -0.03     0.24  -0.09  -0.02
    36   1    -0.04   0.03  -0.02     0.13  -0.09   0.08     0.13  -0.08   0.07
    37   1     0.08  -0.04   0.01    -0.34   0.16  -0.03    -0.24   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.3853              1171.8478              1187.6953
 Red. masses --      1.0739                 1.0737                 1.0527
 Frc consts  --      0.8682                 0.8687                 0.8749
 IR Inten    --     69.9888                70.5754                 0.0119
 RamAct Fr= 1--      7.1712                 6.9239                10.3199
  Dep-P Fr= 1--      0.7491                 0.7493                 0.3617
  Dep-U Fr= 1--      0.8565                 0.8567                 0.5312
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0872
 Beta2  Fr= 1--      1.0237                 0.9886                 0.9137
 AlphaG Fr= 1--      0.0001                 0.0000                 0.3031
 Gamma2 Fr= 1--     -3.3438                -3.3024                -0.7149
 Delta2 Fr= 1--      2.5544                 2.7691                -5.5606
 Raman1 Fr= 1--      28.685                 27.696                 41.279
 ROA1   Fr= 1--    -239.266               -228.415               -246.568
 CID1   Fr= 1--      -8.341                 -8.247                 -5.973
 Raman2 Fr= 1--      12.285                 11.863                 10.965
 ROA2   Fr= 1--    -100.687               -101.410                 27.327
 CID2   Fr= 1--      -8.196                 -8.548                  2.492
 Raman3 Fr= 1--      24.570                 23.726                 21.930
 ROA3   Fr= 1--    -239.266               -228.415               -246.568
 CID3   Fr= 1--      -9.738                 -9.627                -11.244
 RC180  Fr= 1--       0.713                  0.713                  0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.04  -0.01  -0.00     0.02   0.00  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00  -0.00   0.00    -0.02  -0.04   0.00     0.01   0.02   0.00
     6   7     0.03   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
     9   7     0.02  -0.02  -0.00    -0.01   0.02   0.00    -0.01   0.02  -0.00
    10   7    -0.01  -0.04   0.00    -0.01  -0.02   0.00    -0.01  -0.02  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    13   7     0.02  -0.03  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    14   1    -0.01  -0.00  -0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    15   1     0.19   0.07   0.17    -0.15  -0.07  -0.12    -0.18  -0.05  -0.17
    16   1    -0.02   0.02   0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    17   1     0.08  -0.21  -0.17    -0.06   0.13   0.12    -0.09   0.17   0.17
    18   1    -0.01   0.02   0.01    -0.00  -0.00  -0.00    -0.01   0.02   0.01
    19   1     0.19  -0.15  -0.19     0.08  -0.07  -0.09     0.14  -0.13  -0.17
    20   1     0.01   0.01  -0.01     0.01   0.02  -0.01     0.01   0.03  -0.01
    21   1    -0.14  -0.19   0.19    -0.08  -0.09   0.09    -0.10  -0.16   0.16
    22   1     0.01   0.01  -0.01     0.01   0.02  -0.01    -0.01  -0.02   0.01
    23   1     0.00  -0.03   0.02    -0.04  -0.26   0.21     0.05   0.19  -0.17
    24   1    -0.01  -0.00  -0.00     0.02   0.00   0.01    -0.03  -0.01  -0.01
    25   1    -0.01  -0.01  -0.02    -0.26   0.03  -0.21     0.20  -0.01   0.17
    26   1     0.03   0.02  -0.01     0.29   0.27  -0.01    -0.20  -0.20  -0.01
    27   1     0.00   0.01  -0.00     0.11   0.21  -0.04    -0.07  -0.14   0.03
    28   1     0.03   0.01  -0.01     0.34   0.21   0.01    -0.24  -0.14   0.01
    29   1     0.03   0.01   0.00     0.23   0.05   0.04    -0.15  -0.03  -0.03
    30   1    -0.08   0.35   0.01    -0.04   0.17  -0.01    -0.07   0.26  -0.01
    31   1    -0.11   0.18   0.04    -0.06   0.10   0.02    -0.08   0.12   0.03
    32   1    -0.01   0.36  -0.00    -0.01   0.18  -0.01    -0.00   0.27   0.01
    33   1     0.06   0.21  -0.04     0.03   0.09  -0.02     0.05   0.14  -0.03
    34   1    -0.31   0.09  -0.00     0.22  -0.07   0.01     0.27  -0.08  -0.01
    35   1    -0.20  -0.00  -0.04     0.13   0.01   0.02     0.15   0.01   0.03
    36   1    -0.29   0.15   0.01     0.20  -0.11   0.00     0.23  -0.13   0.01
    37   1    -0.13   0.14   0.03     0.10  -0.10  -0.02     0.10  -0.11  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1222.9506              1223.6111              1247.0553
 Red. masses --      1.2501                 1.2490                 1.2494
 Frc consts  --      1.1015                 1.1018                 1.1447
 IR Inten    --     10.8961                11.2000                13.2719
 RamAct Fr= 1--      6.0479                 5.8084                 0.0119
  Dep-P Fr= 1--      0.7487                 0.7491                 0.3729
  Dep-U Fr= 1--      0.8563                 0.8566                 0.5432
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0001
 Beta2  Fr= 1--      0.8632                 0.8292                 0.0011
 AlphaG Fr= 1--     -0.0001                 0.0001                 0.0000
 Gamma2 Fr= 1--      4.1120                 3.5287                -0.0041
 Delta2 Fr= 1--      0.2493                 0.1383                -0.0020
 Raman1 Fr= 1--      24.191                 23.234                  0.047
 ROA1   Fr= 1--     402.732                343.180                 -0.459
 CID1   Fr= 1--      16.648                 14.771                 -9.673
 Raman2 Fr= 1--      10.358                  9.951                  0.013
 ROA2   Fr= 1--      96.694                 83.582                 -0.083
 CID2   Fr= 1--       9.335                  8.400                 -6.423
 Raman3 Fr= 1--      20.716                 19.901                  0.026
 ROA3   Fr= 1--     402.732                343.180                 -0.459
 CID3   Fr= 1--      19.441                 17.244                -17.807
 RC180  Fr= 1--       0.713                  0.713                  0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.02  -0.04   0.01     0.02   0.03  -0.00
     2   6     0.00  -0.01  -0.01     0.04   0.01   0.01    -0.03  -0.01  -0.00
     3   7     0.00   0.00   0.01    -0.06  -0.01  -0.01     0.05   0.00   0.00
     4  45    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.02   0.06  -0.02    -0.02  -0.05   0.00
     6   7    -0.06  -0.01  -0.01     0.03   0.00   0.01     0.05   0.01   0.00
     7   6     0.04   0.00   0.01    -0.02   0.01  -0.01    -0.03  -0.00  -0.00
     8   6    -0.03   0.02   0.01     0.01  -0.02   0.00     0.02  -0.02  -0.00
     9   7     0.04  -0.04  -0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    10   7    -0.02  -0.05   0.01    -0.01  -0.03   0.01    -0.02  -0.04   0.00
    11   6     0.01   0.04  -0.00     0.00   0.02  -0.01     0.01   0.03  -0.00
    12   6     0.01  -0.03  -0.01     0.02  -0.02   0.00     0.02  -0.03  -0.00
    13   7    -0.03   0.04   0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    14   1     0.04  -0.00   0.01    -0.02  -0.01  -0.00     0.03  -0.00   0.03
    15   1     0.05   0.10   0.06    -0.04  -0.03  -0.05    -0.07  -0.09  -0.07
    16   1    -0.02   0.04   0.01     0.02  -0.01  -0.00    -0.02   0.01   0.02
    17   1     0.02   0.10   0.07    -0.03  -0.06  -0.01    -0.02  -0.11  -0.06
    18   1     0.03  -0.03  -0.01     0.01  -0.03  -0.00    -0.01   0.03   0.02
    19   1     0.09  -0.01  -0.07     0.07   0.02  -0.02     0.11  -0.02  -0.06
    20   1     0.01   0.04  -0.01     0.02   0.02  -0.01    -0.00  -0.03   0.03
    21   1     0.11   0.02  -0.05     0.05   0.03  -0.06     0.11   0.04  -0.06
    22   1     0.01  -0.00   0.00    -0.02  -0.05   0.01    -0.02  -0.02   0.02
    23   1    -0.03   0.00   0.02     0.06  -0.10   0.07    -0.04   0.11  -0.07
    24   1    -0.01   0.01  -0.00     0.05   0.01   0.01     0.02   0.01   0.02
    25   1    -0.01  -0.02  -0.02     0.08  -0.09   0.07    -0.09   0.07  -0.07
    26   1     0.02   0.02   0.03    -0.37  -0.34  -0.00     0.25   0.23   0.02
    27   1    -0.01   0.00  -0.01    -0.06  -0.20   0.06     0.06   0.17  -0.05
    28   1    -0.02  -0.02  -0.03     0.42   0.27  -0.01    -0.29  -0.18   0.02
    29   1    -0.02  -0.01   0.00     0.21   0.00   0.06    -0.18  -0.01  -0.05
    30   1     0.09  -0.42  -0.01     0.06  -0.27   0.03     0.07  -0.32   0.02
    31   1     0.12  -0.14  -0.05     0.08  -0.08  -0.04     0.11  -0.13  -0.05
    32   1    -0.02   0.42   0.02    -0.02   0.28  -0.02    -0.01   0.33   0.02
    33   1     0.09   0.15  -0.05     0.05   0.11  -0.03     0.07   0.16  -0.05
    34   1     0.42  -0.13  -0.02    -0.22   0.07  -0.02    -0.31   0.10   0.02
    35   1     0.18   0.05   0.06    -0.11  -0.02  -0.02    -0.17  -0.03  -0.05
    36   1    -0.40   0.21   0.01     0.21  -0.11   0.03     0.29  -0.16   0.02
    37   1    -0.10   0.16   0.05     0.04  -0.08  -0.03     0.10  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.4991              1291.9223              1299.8811
 Red. masses --      1.3917                 1.3912                 1.3676
 Frc consts  --      1.3677                 1.3681                 1.3615
 IR Inten    --      0.9562                 0.9315                 0.0001
 RamAct Fr= 1--      0.3897                 0.3834                 8.4079
  Dep-P Fr= 1--      0.7375                 0.7498                 0.2406
  Dep-U Fr= 1--      0.8489                 0.8570                 0.3878
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.1023
 Beta2  Fr= 1--      0.0551                 0.0548                 0.5435
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0473
 Gamma2 Fr= 1--     -0.0363                -0.0065                -2.5605
 Delta2 Fr= 1--     -0.0281                 0.0052                 0.1332
 Raman1 Fr= 1--       1.559                  1.533                 33.632
 ROA1   Fr= 1--      -4.386                 -0.462               -241.542
 CID1   Fr= 1--      -2.813                 -0.301                 -7.182
 Raman2 Fr= 1--       0.662                  0.657                  6.521
 ROA2   Fr= 1--      -0.646                 -0.198                -62.516
 CID2   Fr= 1--      -0.977                 -0.302                 -9.586
 Raman3 Fr= 1--       1.323                  1.314                 13.043
 ROA3   Fr= 1--      -4.386                 -0.462               -241.542
 CID3   Fr= 1--      -3.314                 -0.351                -18.519
 RC180  Fr= 1--       0.698                  0.714                 -0.224
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.04  -0.05  -0.07    -0.03   0.04   0.05
     2   6    -0.01   0.02   0.02    -0.03   0.05   0.07     0.03  -0.04  -0.05
     3   7     0.01  -0.01  -0.01    -0.00  -0.03  -0.02    -0.00   0.02   0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01  -0.00   0.01    -0.03   0.01   0.02     0.02  -0.01  -0.01
     6   7     0.00  -0.02   0.01    -0.01   0.03  -0.01    -0.00   0.02  -0.01
     7   6     0.01   0.04  -0.05    -0.01  -0.05   0.06    -0.02  -0.05   0.05
     8   6    -0.02  -0.04   0.05     0.02   0.05  -0.06     0.02   0.05  -0.05
     9   7     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.02  -0.01   0.01
    10   7     0.03  -0.01   0.02     0.00  -0.01   0.00     0.02  -0.01   0.01
    11   6    -0.06  -0.00  -0.07    -0.01   0.00  -0.01    -0.05  -0.00  -0.05
    12   6     0.06   0.01   0.07     0.01   0.00   0.01     0.05   0.01   0.05
    13   7    -0.03  -0.02  -0.02    -0.01   0.00  -0.00    -0.02  -0.01  -0.01
    14   1    -0.04  -0.17  -0.10     0.04   0.21   0.12     0.08   0.20   0.13
    15   1    -0.02   0.07  -0.02     0.03  -0.07   0.02    -0.02  -0.08  -0.02
    16   1     0.10   0.15   0.10    -0.11  -0.18  -0.12    -0.08  -0.19  -0.13
    17   1    -0.06  -0.02   0.02     0.07   0.04  -0.02     0.04   0.07   0.02
    18   1    -0.26  -0.08   0.15    -0.05  -0.01   0.03    -0.20  -0.03   0.13
    19   1     0.07   0.08   0.03     0.03   0.02   0.00     0.08   0.02  -0.01
    20   1     0.27  -0.01  -0.16     0.05  -0.01  -0.03     0.21   0.02  -0.13
    21   1    -0.09   0.06  -0.03    -0.00   0.01  -0.01    -0.08   0.00   0.01
    22   1    -0.07   0.06  -0.05    -0.19   0.18  -0.15     0.13  -0.16   0.13
    23   1     0.03   0.00  -0.01     0.10  -0.02  -0.03    -0.06   0.06  -0.01
    24   1     0.05  -0.08   0.05     0.12  -0.23   0.15    -0.12   0.17  -0.13
    25   1    -0.00   0.04   0.01     0.01   0.10   0.03     0.04  -0.07   0.01
    26   1    -0.02  -0.03  -0.04    -0.15  -0.15  -0.11     0.10   0.11   0.09
    27   1     0.11   0.09   0.02     0.28   0.20   0.08    -0.20  -0.14  -0.05
    28   1    -0.09  -0.05   0.04    -0.16  -0.09   0.11     0.13   0.07  -0.09
    29   1     0.08   0.07  -0.03     0.28   0.22  -0.08    -0.19  -0.16   0.05
    30   1     0.06  -0.20   0.12     0.02  -0.07   0.02     0.04  -0.14   0.09
    31   1    -0.04   0.37  -0.08    -0.00   0.05  -0.02    -0.02   0.24  -0.05
    32   1    -0.01  -0.21  -0.12    -0.00  -0.01  -0.02    -0.00  -0.15  -0.09
    33   1    -0.06   0.36   0.08    -0.01   0.09   0.01    -0.04   0.24   0.05
    34   1     0.16  -0.04  -0.08    -0.13   0.03   0.09    -0.15   0.04   0.09
    35   1    -0.21   0.10   0.05     0.27  -0.12  -0.06     0.23  -0.10  -0.05
    36   1     0.10  -0.06   0.08    -0.16   0.10  -0.09    -0.13   0.08  -0.09
    37   1    -0.24   0.10  -0.05     0.26  -0.10   0.06     0.23  -0.09   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1330.3753              1330.5205              1343.8680
 Red. masses --      1.1803                 1.1803                 1.1821
 Frc consts  --      1.2309                 1.2311                 1.2578
 IR Inten    --     23.9770                24.2175                 0.0058
 RamAct Fr= 1--      0.7457                 0.7179                 4.0015
  Dep-P Fr= 1--      0.7452                 0.7472                 0.3380
  Dep-U Fr= 1--      0.8540                 0.8553                 0.5052
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0365
 Beta2  Fr= 1--      0.1061                 0.1023                 0.3370
 AlphaG Fr= 1--      0.0001                 0.0001                -0.0362
 Gamma2 Fr= 1--      3.9429                 3.6764                -0.1652
 Delta2 Fr= 1--      1.9539                 1.8657                 0.8777
 Raman1 Fr= 1--       2.983                  2.872                 16.006
 ROA1   Fr= 1--     441.038                412.640                 12.225
 CID1   Fr= 1--     147.857                143.690                  0.764
 Raman2 Fr= 1--       1.274                  1.228                  4.044
 ROA2   Fr= 1--      78.998                 73.309                -10.987
 CID2   Fr= 1--      62.023                 59.692                 -2.717
 Raman3 Fr= 1--       2.547                  2.456                  8.087
 ROA3   Fr= 1--     441.038                412.640                 12.225
 CID3   Fr= 1--     173.136                167.998                  1.512
 RC180  Fr= 1--       0.708                  0.711                  0.010
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.01   0.03  -0.02     0.01  -0.02   0.02
     2   6     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.02   0.01  -0.02
     3   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.03     0.03   0.02   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.02  -0.02   0.02    -0.02  -0.03   0.03     0.02   0.02  -0.02
     6   7     0.02  -0.00   0.01    -0.04   0.01  -0.03    -0.03   0.01  -0.02
     7   6    -0.01  -0.02  -0.01     0.02   0.03   0.02     0.01   0.02   0.02
     8   6     0.00   0.02   0.01    -0.01  -0.03  -0.02    -0.00  -0.02  -0.02
     9   7     0.02  -0.01  -0.02    -0.03   0.02   0.03    -0.03   0.01   0.02
    10   7    -0.00  -0.04   0.03     0.00  -0.00   0.00     0.00  -0.03   0.02
    11   6     0.04   0.01  -0.02     0.00   0.00  -0.00     0.02   0.01  -0.02
    12   6    -0.04   0.00   0.02    -0.00  -0.00  -0.00    -0.02   0.00   0.02
    13   7     0.01  -0.04  -0.03     0.00   0.00   0.00     0.01  -0.03  -0.02
    14   1     0.14   0.06   0.11    -0.18  -0.10  -0.16    -0.15  -0.06  -0.12
    15   1    -0.17  -0.03  -0.14     0.24   0.03   0.21     0.19   0.02   0.16
    16   1     0.02  -0.11  -0.09    -0.07   0.21   0.17    -0.07   0.15   0.12
    17   1    -0.08   0.10   0.12     0.15  -0.21  -0.22     0.12  -0.15  -0.16
    18   1     0.22  -0.14  -0.19     0.01  -0.02  -0.01     0.12  -0.11  -0.12
    19   1    -0.18   0.23   0.25    -0.02   0.02   0.02    -0.11   0.15   0.16
    20   1    -0.18  -0.19   0.19    -0.00   0.02  -0.00    -0.09  -0.13   0.12
    21   1     0.12   0.27  -0.25    -0.01  -0.01   0.01     0.07   0.17  -0.16
    22   1     0.01  -0.11   0.08    -0.02  -0.23   0.17     0.03   0.16  -0.12
    23   1     0.05   0.11  -0.11     0.10   0.25  -0.23    -0.08  -0.18   0.16
    24   1    -0.14   0.02  -0.10    -0.21   0.06  -0.17     0.16  -0.02   0.12
    25   1     0.16   0.01   0.13     0.25   0.03   0.22    -0.19  -0.03  -0.16
    26   1     0.06   0.05  -0.03     0.10   0.08  -0.03    -0.09  -0.07   0.04
    27   1     0.07   0.10   0.01     0.11   0.15   0.01    -0.13  -0.17  -0.01
    28   1     0.05   0.03   0.00     0.11   0.08   0.04    -0.09  -0.06  -0.04
    29   1     0.08   0.03  -0.01     0.19   0.07  -0.01    -0.21  -0.08   0.01
    30   1    -0.02   0.15   0.04    -0.00  -0.01  -0.01    -0.02   0.11   0.04
    31   1    -0.10   0.20  -0.01     0.01  -0.01   0.00    -0.09   0.20  -0.01
    32   1    -0.01   0.14  -0.04    -0.00   0.01  -0.02    -0.01   0.11  -0.04
    33   1     0.04   0.22   0.01     0.01   0.02   0.00     0.03   0.22   0.01
    34   1    -0.06   0.02  -0.01     0.12  -0.05   0.04     0.10  -0.04   0.04
    35   1    -0.10   0.01   0.01     0.20  -0.02  -0.01     0.22  -0.03  -0.01
    36   1    -0.08   0.03   0.03     0.11  -0.05  -0.03     0.10  -0.05  -0.04
    37   1    -0.10   0.09  -0.01     0.14  -0.12   0.01     0.17  -0.14   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.4951              1347.6581              1352.1210
 Red. masses --      1.1874                 1.1875                 1.2062
 Frc consts  --      1.2702                 1.2707                 1.2993
 IR Inten    --     11.8610                12.0372                 2.5903
 RamAct Fr= 1--     12.8123                12.9915                 0.0037
  Dep-P Fr= 1--      0.7500                 0.7500                 0.5643
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7215
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.8303                 1.8559                 0.0004
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -8.6930                -8.7899                -0.0054
 Delta2 Fr= 1--     -0.2634                -0.3261                -0.0015
 Raman1 Fr= 1--      51.249                 51.966                  0.015
 ROA1   Fr= 1--    -842.962               -854.266                 -0.565
 CID1   Fr= 1--     -16.448                -16.439                -38.616
 Raman2 Fr= 1--      21.964                 22.271                  0.005
 ROA2   Fr= 1--    -206.526               -208.350                 -0.118
 CID2   Fr= 1--      -9.403                 -9.355                -22.309
 Raman3 Fr= 1--      43.927                 44.542                  0.011
 ROA3   Fr= 1--    -842.962               -854.266                 -0.565
 CID3   Fr= 1--     -19.190                -19.179                -53.522
 RC180  Fr= 1--       0.714                  0.714                  0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.01   0.02   0.04    -0.01  -0.01  -0.04
     2   6    -0.02  -0.00   0.03    -0.02  -0.01   0.04     0.01   0.01  -0.04
     3   7    -0.01  -0.02  -0.02    -0.01  -0.02  -0.03     0.01   0.02   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7     0.02   0.00  -0.02     0.02   0.00  -0.02    -0.02  -0.01   0.02
     6   7    -0.00   0.01  -0.01     0.02  -0.02   0.03     0.02  -0.02   0.02
     7   6    -0.01  -0.00   0.01     0.02  -0.00  -0.05     0.02  -0.01  -0.04
     8   6     0.01  -0.00   0.02    -0.01   0.02  -0.04    -0.01   0.01  -0.04
     9   7     0.01   0.00  -0.01    -0.03  -0.01   0.03    -0.03   0.00   0.02
    10   7     0.02  -0.02   0.03    -0.00   0.00  -0.01     0.01  -0.02   0.02
    11   6    -0.01  -0.02  -0.05     0.00   0.01   0.01     0.00  -0.02  -0.04
    12   6    -0.01   0.02  -0.05    -0.00  -0.00   0.01    -0.00   0.02  -0.04
    13   7     0.01   0.03   0.03    -0.00  -0.01  -0.01     0.00   0.03   0.02
    14   1     0.08  -0.00   0.05    -0.17   0.03  -0.10    -0.11   0.03  -0.06
    15   1    -0.11  -0.04  -0.09     0.28   0.10   0.23     0.23   0.08   0.19
    16   1    -0.04   0.02   0.02     0.15  -0.11  -0.11     0.10  -0.06  -0.06
    17   1     0.04  -0.08  -0.07    -0.13   0.28   0.24    -0.10   0.22   0.19
    18   1     0.07  -0.18  -0.11     0.00   0.02   0.01     0.03  -0.10  -0.06
    19   1    -0.24   0.21   0.25     0.04  -0.03  -0.04    -0.18   0.15   0.18
    20   1     0.02   0.19  -0.11    -0.02  -0.06   0.04     0.00   0.11  -0.06
    21   1    -0.18  -0.26   0.25     0.05   0.07  -0.07    -0.14  -0.19   0.18
    22   1    -0.08  -0.08   0.06    -0.09  -0.13   0.09     0.08   0.08  -0.06
    23   1     0.03   0.20  -0.15     0.05   0.25  -0.20    -0.04  -0.23   0.18
    24   1     0.13   0.05   0.08     0.12   0.06   0.08    -0.09  -0.05  -0.06
    25   1    -0.22   0.02  -0.18    -0.23   0.02  -0.18     0.24  -0.02   0.18
    26   1     0.01   0.02   0.06     0.03   0.04   0.07     0.01  -0.01  -0.07
    27   1    -0.16  -0.15  -0.04    -0.17  -0.15  -0.05     0.16   0.16   0.03
    28   1    -0.05  -0.02   0.06    -0.03  -0.01   0.07     0.01  -0.01  -0.07
    29   1     0.16   0.10  -0.04     0.21   0.13  -0.05    -0.20  -0.11   0.03
    30   1    -0.02   0.06  -0.09     0.00   0.01   0.02    -0.01  -0.00  -0.07
    31   1     0.06  -0.29   0.06    -0.02   0.08  -0.01     0.06  -0.22   0.03
    32   1    -0.01  -0.05  -0.09     0.00   0.03   0.01    -0.01  -0.00  -0.07
    33   1    -0.01   0.30   0.06     0.01  -0.04  -0.01     0.01   0.22   0.03
    34   1    -0.03   0.01   0.03     0.05  -0.00  -0.08     0.01   0.01  -0.07
    35   1     0.07  -0.03  -0.02    -0.28   0.09   0.06    -0.23   0.06   0.03
    36   1    -0.00  -0.00   0.03    -0.05   0.04  -0.08     0.00   0.01  -0.07
    37   1    -0.10   0.06  -0.02     0.25  -0.13   0.06     0.20  -0.12   0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5914              1404.6565              1408.2922
 Red. masses --      1.2727                 1.2726                 1.2568
 Frc consts  --      1.4793                 1.4794                 1.4686
 IR Inten    --      0.0667                 0.0785                 3.1039
 RamAct Fr= 1--      2.3202                 2.2633                 0.0015
  Dep-P Fr= 1--      0.7491                 0.7448                 0.5485
  Dep-U Fr= 1--      0.8565                 0.8537                 0.7084
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.3312                 0.3220                 0.0002
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      2.9246                 2.7866                 0.0031
 Delta2 Fr= 1--      1.4899                 1.4345                 0.0005
 Raman1 Fr= 1--       9.281                  9.053                  0.006
 ROA1   Fr= 1--     328.438                313.413                  0.317
 CID1   Fr= 1--      35.388                 34.619                 52.167
 Raman2 Fr= 1--       3.975                  3.865                  0.002
 ROA2   Fr= 1--      58.272                 55.402                  0.071
 CID2   Fr= 1--      14.660                 14.336                 33.107
 Raman3 Fr= 1--       7.950                  7.729                  0.004
 ROA3   Fr= 1--     328.438                313.413                  0.317
 CID3   Fr= 1--      41.315                 40.550                 73.639
 RC180  Fr= 1--       0.713                  0.707                  0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.08   0.02  -0.03    -0.05   0.01  -0.02
     2   6    -0.00   0.01  -0.00     0.00   0.08  -0.03    -0.00   0.06  -0.02
     3   7     0.00  -0.00  -0.00     0.02  -0.02  -0.01     0.01  -0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.01  -0.03  -0.01     0.01  -0.02  -0.01
     6   7     0.01   0.02  -0.01    -0.01  -0.01   0.01     0.01   0.02  -0.01
     7   6     0.02  -0.06  -0.02    -0.01   0.05   0.02     0.01  -0.05  -0.02
     8   6    -0.05  -0.03  -0.02     0.04   0.03   0.02    -0.05  -0.03  -0.02
     9   7     0.00   0.02  -0.01    -0.00  -0.02   0.00     0.00   0.02  -0.01
    10   7     0.02   0.01   0.01     0.01   0.00   0.00    -0.02  -0.01  -0.01
    11   6    -0.06   0.04   0.03    -0.02   0.02   0.01     0.05  -0.03  -0.02
    12   6    -0.05  -0.05   0.02    -0.02  -0.02   0.01     0.04   0.04  -0.02
    13   7     0.02  -0.00   0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    14   1     0.25   0.06   0.20    -0.20  -0.05  -0.16     0.23   0.05   0.19
    15   1     0.17   0.11   0.15    -0.14  -0.09  -0.11     0.14   0.09   0.12
    16   1    -0.13   0.22   0.21     0.11  -0.18  -0.16    -0.13   0.21   0.19
    17   1    -0.04   0.21   0.14     0.04  -0.16  -0.12    -0.03   0.16   0.12
    18   1     0.22  -0.22  -0.24     0.09  -0.09  -0.10    -0.16   0.18   0.19
    19   1     0.22  -0.11  -0.17     0.08  -0.05  -0.07    -0.15   0.07   0.12
    20   1     0.15   0.27  -0.24     0.06   0.10  -0.10    -0.11  -0.21   0.19
    21   1     0.18   0.16  -0.17     0.08   0.07  -0.07    -0.12  -0.11   0.12
    22   1    -0.01  -0.04   0.04    -0.09  -0.32   0.26    -0.07  -0.23   0.19
    23   1     0.00  -0.04   0.03     0.01  -0.26   0.18     0.01  -0.17   0.12
    24   1     0.05   0.00   0.04     0.33  -0.00   0.26     0.24   0.01   0.19
    25   1     0.03  -0.01   0.03     0.25  -0.08   0.18     0.16  -0.05   0.12
    26   1     0.01   0.01   0.01     0.10   0.09   0.05     0.06   0.06   0.05
    27   1    -0.01  -0.01  -0.01    -0.12  -0.07  -0.05    -0.11  -0.08  -0.03
    28   1    -0.02  -0.01   0.01    -0.12  -0.07   0.05    -0.07  -0.04   0.05
    29   1     0.01   0.02  -0.01     0.10   0.09  -0.05     0.11   0.08  -0.03
    30   1    -0.03   0.12  -0.05    -0.01   0.05  -0.02     0.02  -0.08   0.05
    31   1     0.00  -0.12   0.04    -0.00  -0.05   0.02    -0.02   0.13  -0.03
    32   1     0.01  -0.13  -0.05     0.00  -0.05  -0.02    -0.00   0.09   0.05
    33   1    -0.03   0.12   0.05    -0.01   0.05   0.02     0.02  -0.13  -0.03
    34   1    -0.10   0.03   0.04     0.08  -0.03  -0.03    -0.08   0.02   0.05
    35   1     0.09  -0.05  -0.04    -0.07   0.04   0.03     0.12  -0.05  -0.03
    36   1     0.10  -0.05   0.04    -0.08   0.04  -0.03     0.07  -0.04   0.05
    37   1    -0.10   0.03  -0.04     0.08  -0.02   0.03    -0.12   0.05  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.3422              1442.3721              1446.6146
 Red. masses --      1.4490                 1.4494                 1.4617
 Frc consts  --      1.7760                 1.7766                 1.8023
 IR Inten    --      3.2904                 3.2339                 0.0010
 RamAct Fr= 1--      0.3130                 0.3094                 0.5578
  Dep-P Fr= 1--      0.7472                 0.7455                 0.5960
  Dep-U Fr= 1--      0.8553                 0.8542                 0.7468
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0016
 Beta2  Fr= 1--      0.0446                 0.0441                 0.0694
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0316
 Gamma2 Fr= 1--     -1.2804                -1.3001                 0.0454
 Delta2 Fr= 1--     -0.9193                -0.8987                -0.1718
 Raman1 Fr= 1--       1.252                  1.238                  2.231
 ROA1   Fr= 1--    -152.332               -153.567                 -1.140
 CID1   Fr= 1--    -121.681               -124.070                 -0.511
 Raman2 Fr= 1--       0.535                  0.529                  0.833
 ROA2   Fr= 1--     -23.374                -24.012                  2.463
 CID2   Fr= 1--     -43.661                -45.424                  2.957
 Raman3 Fr= 1--       1.071                  1.057                  1.666
 ROA3   Fr= 1--    -152.332               -153.567                 -1.140
 CID3   Fr= 1--    -142.270               -145.252                 -0.684
 RC180  Fr= 1--       0.711                  0.708                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.07   0.05  -0.06    -0.05   0.04  -0.05
     2   6    -0.01   0.02  -0.02     0.03  -0.08   0.06     0.03  -0.06   0.05
     3   7     0.01  -0.01   0.00    -0.03   0.02  -0.00    -0.02   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.01  -0.00     0.01  -0.03   0.00     0.01  -0.02  -0.00
     6   7    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.01   0.02  -0.00
     7   6     0.01   0.06   0.04     0.01   0.07   0.05    -0.01  -0.06  -0.04
     8   6    -0.04  -0.05  -0.04    -0.04  -0.05  -0.05     0.04   0.05   0.04
     9   7     0.00   0.02   0.00     0.00   0.02   0.00    -0.00  -0.02   0.00
    10   7     0.03   0.01  -0.00    -0.01  -0.00   0.00     0.02   0.01   0.00
    11   6    -0.09   0.01   0.06     0.02  -0.00  -0.02    -0.06   0.01   0.04
    12   6     0.08   0.04  -0.06    -0.02  -0.01   0.02     0.06   0.02  -0.04
    13   7    -0.03   0.01   0.00     0.01  -0.00  -0.00    -0.02   0.00  -0.00
    14   1     0.20   0.11   0.22     0.23   0.10   0.23    -0.20  -0.12  -0.23
    15   1     0.13   0.08   0.06     0.13   0.06   0.08    -0.13  -0.09  -0.06
    16   1     0.09  -0.22  -0.21     0.07  -0.23  -0.23    -0.06   0.22   0.23
    17   1     0.05  -0.13  -0.08     0.04  -0.15  -0.07    -0.03   0.15   0.06
    18   1     0.27  -0.19  -0.31    -0.07   0.03   0.09     0.20  -0.11  -0.23
    19   1     0.17  -0.11  -0.10    -0.06   0.02   0.01     0.14  -0.07  -0.06
    20   1    -0.22  -0.25   0.31     0.05   0.08  -0.07    -0.16  -0.16   0.23
    21   1    -0.14  -0.15   0.10     0.02   0.04  -0.04    -0.12  -0.11   0.06
    22   1    -0.02  -0.10   0.08     0.02   0.32  -0.30    -0.00   0.24  -0.24
    23   1    -0.02  -0.05   0.04     0.01   0.20  -0.09    -0.01   0.16  -0.06
    24   1    -0.08   0.03  -0.09     0.32  -0.06   0.30     0.23  -0.06   0.24
    25   1    -0.06   0.02  -0.02     0.19  -0.04   0.10     0.15  -0.05   0.06
    26   1    -0.04  -0.03  -0.01     0.13   0.10   0.02     0.10   0.08   0.03
    27   1     0.03   0.01   0.01    -0.11  -0.01  -0.07    -0.07  -0.02  -0.04
    28   1    -0.04  -0.03   0.01     0.13   0.10  -0.02     0.10   0.07  -0.03
    29   1     0.01   0.03  -0.02    -0.04  -0.10   0.06    -0.03  -0.06   0.04
    30   1     0.02  -0.17   0.02    -0.01   0.04  -0.00     0.02  -0.12   0.03
    31   1     0.04   0.11  -0.06    -0.02  -0.03   0.02     0.02   0.07  -0.04
    32   1     0.02  -0.16  -0.02    -0.00   0.04   0.01     0.01  -0.12  -0.03
    33   1    -0.07   0.09   0.07     0.01  -0.03  -0.01    -0.03   0.06   0.04
    34   1     0.11  -0.05  -0.01     0.11  -0.05  -0.01    -0.12   0.04   0.03
    35   1    -0.05   0.07   0.05    -0.05   0.06   0.05     0.05  -0.05  -0.04
    36   1     0.11  -0.05   0.01     0.11  -0.05   0.01    -0.11   0.05  -0.03
    37   1    -0.08  -0.01  -0.04    -0.09  -0.02  -0.05     0.07   0.00   0.04
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1503.0039              1503.1437              1503.6059
 Red. masses --      1.0769                 1.0776                 1.0812
 Frc consts  --      1.4333                 1.4345                 1.4402
 IR Inten    --     44.6696                36.1817                 1.6456
 RamAct Fr= 1--      8.4999                12.1608                 1.1853
  Dep-P Fr= 1--      0.7404                 0.6333                 0.6686
  Dep-U Fr= 1--      0.8508                 0.7755                 0.8014
 Alpha2 Fr= 1--      0.0014                 0.0257                 0.0017
 Beta2  Fr= 1--      1.2053                 1.5717                 0.1583
 AlphaG Fr= 1--     -0.0012                -0.0378                -0.0020
 Gamma2 Fr= 1--      0.0941                 1.4149                 0.4954
 Delta2 Fr= 1--     -1.1454                -0.7991                 0.0538
 Raman1 Fr= 1--      34.000                 48.643                  4.741
 ROA1   Fr= 1--     -27.615                110.260                 49.280
 CID1   Fr= 1--      -0.812                  2.267                 10.394
 Raman2 Fr= 1--      14.464                 18.861                  1.900
 ROA2   Fr= 1--      11.422                 40.351                 11.459
 CID2   Fr= 1--       0.790                  2.139                  6.032
 Raman3 Fr= 1--      28.927                 37.722                  3.800
 ROA3   Fr= 1--     -27.615                110.260                 49.280
 CID3   Fr= 1--      -0.955                  2.923                 12.970
 RC180  Fr= 1--       0.702                  0.551                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00     0.00  -0.02  -0.00     0.00  -0.01   0.00
     2   6    -0.05   0.01   0.01     0.04  -0.01  -0.00     0.03  -0.01  -0.00
     3   7    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03  -0.01   0.00    -0.04  -0.02   0.00     0.03   0.02  -0.00
     8   6    -0.00  -0.01  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    11   6    -0.02  -0.02  -0.00    -0.01  -0.02  -0.01    -0.03  -0.03  -0.00
    12   6    -0.03   0.02  -0.00     0.00  -0.01   0.00    -0.03   0.02  -0.00
    13   7    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.02   0.05   0.05    -0.17   0.16   0.13     0.15  -0.13  -0.10
    15   1     0.00   0.06  -0.04     0.00   0.23  -0.15    -0.00  -0.19   0.13
    16   1     0.29  -0.04   0.12     0.38  -0.03   0.18    -0.24   0.01  -0.12
    17   1     0.18   0.19  -0.18     0.25   0.26  -0.24    -0.15  -0.17   0.15
    18   1     0.06   0.25  -0.13     0.01   0.19  -0.06     0.07   0.34  -0.18
    19   1     0.22   0.12   0.17     0.14   0.08   0.12     0.29   0.16   0.23
    20   1     0.13  -0.26  -0.14    -0.02   0.09   0.01     0.14  -0.27  -0.16
    21   1     0.27  -0.07   0.19    -0.06   0.02  -0.05     0.29  -0.07   0.20
    22   1     0.36   0.14   0.17    -0.31  -0.11  -0.16    -0.23  -0.09  -0.12
    23   1     0.30  -0.18  -0.24    -0.26   0.16   0.21    -0.20   0.12   0.16
    24   1    -0.03  -0.09   0.08     0.10   0.17  -0.11     0.04   0.08  -0.06
    25   1     0.03  -0.10  -0.07    -0.05   0.18   0.13    -0.02   0.09   0.06
    26   1     0.01   0.01   0.02     0.01   0.00  -0.01    -0.01  -0.02  -0.02
    27   1     0.00  -0.01   0.00     0.00   0.01  -0.00    -0.01   0.01  -0.01
    28   1     0.02   0.01  -0.01    -0.00  -0.00  -0.00     0.02   0.01  -0.01
    29   1    -0.01   0.01  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    30   1     0.00  -0.02  -0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
    31   1    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.01   0.00  -0.01
    32   1    -0.00   0.01  -0.01     0.00   0.03   0.02    -0.01  -0.02  -0.02
    33   1    -0.00   0.01   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    34   1     0.02  -0.01  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.02
    35   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    36   1     0.01  -0.01   0.02    -0.01  -0.00   0.02    -0.00   0.01  -0.01
    37   1    -0.00   0.01   0.00    -0.01   0.01   0.00    -0.00  -0.01  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.0513              1504.4687              1504.7975
 Red. masses --      1.0782                 1.0843                 1.0843
 Frc consts  --      1.4371                 1.4461                 1.4466
 IR Inten    --      5.4559                 4.2638                 1.0395
 RamAct Fr= 1--     14.9508                 0.9551                 2.2053
  Dep-P Fr= 1--      0.3140                 0.6668                 0.6970
  Dep-U Fr= 1--      0.4780                 0.8001                 0.8214
 Alpha2 Fr= 1--      0.1470                 0.0014                 0.0020
 Beta2  Fr= 1--      1.1910                 0.1274                 0.3019
 AlphaG Fr= 1--     -0.2374                -0.0019                -0.0033
 Gamma2 Fr= 1--     -2.4897                 2.2785                 3.2875
 Delta2 Fr= 1--     -0.7659                 1.0323                 1.2193
 Raman1 Fr= 1--      59.803                  3.820                  8.821
 ROA1   Fr= 1--    -263.517                251.767                354.614
 CID1   Fr= 1--      -4.406                 65.903                 40.199
 Raman2 Fr= 1--      14.292                  1.528                  3.623
 ROA2   Fr= 1--     -53.626                 46.424                 69.145
 CID2   Fr= 1--      -3.752                 30.376                 19.084
 Raman3 Fr= 1--      28.583                  3.057                  7.246
 ROA3   Fr= 1--    -263.517                251.767                354.614
 CID3   Fr= 1--      -9.219                 82.367                 48.937
 RC180  Fr= 1--      -0.044                  0.600                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01
     2   6    -0.01  -0.01   0.01    -0.02   0.00   0.00    -0.02  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     6   7     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.03   0.00  -0.01     0.03   0.01  -0.00    -0.02  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.01  -0.02   0.00    -0.02   0.04  -0.00
     9   7     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6     0.01   0.02   0.01    -0.03  -0.04  -0.01     0.00   0.00   0.00
    12   6    -0.02   0.02  -0.01     0.04  -0.03   0.01     0.01  -0.01   0.00
    13   7    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    14   1    -0.34   0.24   0.15    -0.14   0.09   0.05     0.28  -0.21  -0.14
    15   1     0.01   0.36  -0.25     0.01   0.14  -0.09    -0.02  -0.31   0.21
    16   1    -0.22   0.06  -0.05    -0.23   0.04  -0.09     0.13  -0.04   0.03
    17   1    -0.13  -0.13   0.13    -0.14  -0.16   0.14     0.07   0.09  -0.07
    18   1    -0.00  -0.16   0.04     0.03   0.40  -0.14    -0.01  -0.04   0.02
    19   1    -0.12  -0.06  -0.09     0.31   0.16   0.24    -0.03  -0.02  -0.03
    20   1     0.08  -0.24  -0.09    -0.13   0.38   0.13    -0.03   0.07   0.04
    21   1     0.21  -0.05   0.15    -0.34   0.07  -0.23    -0.07   0.02  -0.05
    22   1     0.10   0.07   0.01     0.18   0.07   0.08     0.18   0.11   0.05
    23   1     0.07  -0.04  -0.06     0.15  -0.09  -0.12     0.14  -0.10  -0.11
    24   1     0.22   0.26  -0.12     0.06   0.05  -0.02     0.31   0.38  -0.19
    25   1    -0.08   0.28   0.21    -0.02   0.06   0.04    -0.13   0.42   0.30
    26   1     0.02   0.03   0.02     0.01   0.01   0.02    -0.00  -0.00   0.02
    27   1     0.01  -0.02   0.01     0.01  -0.01   0.01     0.01  -0.01   0.00
    28   1     0.03   0.01  -0.03    -0.01  -0.01  -0.00     0.02   0.00  -0.04
    29   1    -0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.02   0.02  -0.01
    30   1     0.01  -0.02   0.02    -0.01   0.01  -0.03     0.00  -0.01   0.00
    31   1    -0.02  -0.00   0.00     0.02  -0.00  -0.01    -0.00   0.00   0.00
    32   1    -0.01  -0.03  -0.03     0.00   0.01   0.03     0.00   0.01   0.01
    33   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    34   1    -0.03   0.00   0.04     0.01  -0.00   0.01     0.01   0.00  -0.03
    35   1     0.01   0.02   0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.01
    36   1    -0.03   0.02  -0.03    -0.01   0.01  -0.02    -0.01   0.01   0.01
    37   1    -0.01  -0.02  -0.01    -0.00  -0.02  -0.01    -0.00   0.01  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1647.3931              1656.8081              1657.1609
 Red. masses --      1.0762                 1.0806                 1.0807
 Frc consts  --      1.7208                 1.7477                 1.7486
 IR Inten    --    228.3455                 5.4145                 5.2090
 RamAct Fr= 1--      0.0079                 4.2995                 4.3854
  Dep-P Fr= 1--      0.4259                 0.7498                 0.7492
  Dep-U Fr= 1--      0.5974                 0.8570                 0.8566
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0008                 0.6141                 0.6261
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0002
 Gamma2 Fr= 1--     -0.0068                 2.3320                 2.6993
 Delta2 Fr= 1--     -0.0018                 3.4262                 3.5059
 Raman1 Fr= 1--       0.032                 17.198                 17.541
 ROA1   Fr= 1--      -0.707                333.515                371.323
 CID1   Fr= 1--     -22.426                 19.392                 21.168
 Raman2 Fr= 1--       0.009                  7.369                  7.513
 ROA2   Fr= 1--      -0.148                 28.559                 36.737
 CID2   Fr= 1--     -15.740                  3.875                  4.890
 Raman3 Fr= 1--       0.019                 14.739                 15.027
 ROA3   Fr= 1--      -0.707                333.515                371.323
 CID3   Fr= 1--     -37.538                 22.628                 24.711
 RC180  Fr= 1--       0.195                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7     0.00   0.01  -0.02     0.00  -0.00   0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01   0.00  -0.03    -0.02   0.00  -0.04     0.00  -0.00   0.01
     6   7     0.01  -0.01  -0.02    -0.00   0.01   0.02    -0.01   0.01   0.03
     7   6    -0.00   0.00  -0.00     0.00   0.01   0.01     0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
     9   7    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.01   0.00   0.02
    10   7     0.01  -0.01  -0.03    -0.01   0.01   0.03    -0.01   0.01   0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
    13   7     0.01   0.01  -0.03    -0.00  -0.01   0.01     0.01   0.02  -0.04
    14   1     0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.00   0.01
    15   1     0.01  -0.01   0.01     0.02   0.01   0.00    -0.01   0.01  -0.01
    16   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.00  -0.00   0.00
    17   1    -0.02  -0.00   0.01     0.00  -0.02  -0.00     0.01  -0.00  -0.01
    18   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01  -0.02
    19   1     0.01   0.02   0.01     0.01  -0.02  -0.01     0.03  -0.01   0.00
    20   1     0.00  -0.00  -0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    21   1     0.01  -0.02   0.01    -0.02   0.00  -0.01    -0.02  -0.02   0.00
    22   1    -0.01   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.01
    23   1    -0.02  -0.00   0.01    -0.01   0.02   0.00    -0.01  -0.02   0.01
    24   1     0.00   0.01  -0.01     0.00  -0.01   0.01    -0.01   0.01  -0.02
    25   1     0.01   0.02   0.01     0.02   0.00   0.01    -0.01   0.01   0.00
    26   1    -0.03   0.08   0.27    -0.03   0.13   0.39     0.01  -0.01  -0.05
    27   1     0.22  -0.14   0.15     0.29  -0.20   0.20    -0.03   0.04  -0.03
    28   1    -0.07   0.05   0.26    -0.00  -0.01  -0.02    -0.11   0.06   0.37
    29   1     0.07  -0.24   0.14    -0.02   0.02  -0.01     0.11  -0.32   0.20
    30   1     0.08  -0.01   0.27    -0.04   0.02  -0.11     0.12  -0.04   0.38
    31   1    -0.22  -0.12   0.14     0.09   0.05  -0.06    -0.32  -0.15   0.20
    32   1     0.08   0.03   0.28    -0.10  -0.07  -0.35    -0.06  -0.03  -0.21
    33   1    -0.26   0.06   0.15     0.32  -0.07  -0.19     0.19  -0.03  -0.11
    34   1    -0.05  -0.07   0.26     0.05   0.05  -0.22     0.08   0.06  -0.27
    35   1     0.01   0.25   0.14    -0.02  -0.20  -0.11    -0.02  -0.25  -0.14
    36   1    -0.01  -0.09   0.27     0.00  -0.11   0.32    -0.01   0.07  -0.19
    37   1     0.17   0.19   0.14     0.19   0.23   0.17    -0.12  -0.13  -0.10
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1660.8726              1666.1424              1666.4758
 Red. masses --      1.0763                 1.0768                 1.0769
 Frc consts  --      1.7492                 1.7612                 1.7621
 IR Inten    --      0.0349                 5.1444                 4.9213
 RamAct Fr= 1--     14.4089                 1.9524                 1.9446
  Dep-P Fr= 1--      0.7496                 0.7494                 0.7452
  Dep-U Fr= 1--      0.8569                 0.8568                 0.8540
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0002
 Beta2  Fr= 1--      2.0577                 0.2788                 0.2768
 AlphaG Fr= 1--      0.0023                 0.0000                 0.0001
 Gamma2 Fr= 1--    -20.3065                 5.0784                 4.9612
 Delta2 Fr= 1--     -9.2565                 1.4386                 1.3562
 Raman1 Fr= 1--      57.636                  7.810                  7.778
 ROA1   Fr= 1--   -2245.627                533.563                519.672
 CID1   Fr= 1--     -38.962                 68.320                 66.811
 Raman2 Fr= 1--      24.693                  3.346                  3.321
 ROA2   Fr= 1--    -413.304                110.373                108.219
 CID2   Fr= 1--     -16.738                 32.991                 32.583
 Raman3 Fr= 1--      49.386                  6.691                  6.643
 ROA3   Fr= 1--   -2245.627                533.563                519.672
 CID3   Fr= 1--     -45.471                 79.742                 78.232
 RC180  Fr= 1--       0.714                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7    -0.00  -0.01   0.03    -0.00   0.00  -0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.02    -0.02   0.00  -0.04    -0.00   0.00  -0.00
     6   7     0.01  -0.01  -0.03    -0.00   0.01   0.02     0.01  -0.01  -0.03
     7   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.01
     8   6    -0.00   0.01   0.01    -0.00   0.00   0.01     0.00   0.01   0.00
     9   7     0.01   0.01   0.03     0.02   0.01   0.03     0.01   0.00   0.02
    10   7    -0.01   0.01   0.02     0.01  -0.01  -0.03    -0.01   0.01   0.02
    11   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   6     0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.01
    13   7     0.01   0.01  -0.02    -0.00  -0.01   0.02    -0.01  -0.01   0.03
    14   1     0.03  -0.02  -0.01     0.01  -0.00   0.00     0.01  -0.01  -0.01
    15   1    -0.02  -0.03   0.01    -0.02  -0.00  -0.00    -0.02  -0.02   0.01
    16   1     0.03  -0.01   0.01    -0.00   0.00   0.01     0.02  -0.01   0.01
    17   1     0.00   0.03  -0.01     0.01  -0.00  -0.01    -0.00   0.03  -0.00
    18   1    -0.00   0.03  -0.01     0.00  -0.02   0.01    -0.00   0.00   0.01
    19   1     0.03  -0.00   0.01    -0.03   0.01  -0.00    -0.00  -0.01  -0.01
    20   1    -0.00   0.03   0.01     0.01  -0.02  -0.01     0.00  -0.02   0.00
    21   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.01   0.02  -0.00
    22   1    -0.03  -0.02  -0.01    -0.01  -0.00  -0.01     0.02   0.01   0.00
    23   1    -0.01   0.03   0.01    -0.01   0.01   0.01     0.00  -0.03   0.00
    24   1    -0.02  -0.02   0.01    -0.02  -0.01   0.00     0.00   0.01  -0.01
    25   1     0.02  -0.02  -0.01     0.03  -0.01   0.00    -0.01   0.01   0.01
    26   1    -0.03   0.07   0.26    -0.03   0.13   0.39    -0.01   0.00   0.04
    27   1     0.19  -0.13   0.13     0.29  -0.20   0.20     0.03  -0.03   0.02
    28   1     0.07  -0.06  -0.29     0.00   0.01   0.04    -0.12   0.06   0.39
    29   1    -0.08   0.25  -0.15     0.02  -0.03   0.02     0.11  -0.33   0.20
    30   1     0.08  -0.01   0.26    -0.06   0.03  -0.16    -0.11   0.03  -0.35
    31   1    -0.21  -0.11   0.13     0.13   0.07  -0.08     0.29   0.14  -0.18
    32   1    -0.07  -0.02  -0.24     0.09   0.06   0.30    -0.06  -0.03  -0.21
    33   1     0.21  -0.05  -0.12    -0.27   0.06   0.16     0.19  -0.03  -0.11
    34   1    -0.06  -0.08   0.31     0.05   0.06  -0.24    -0.09  -0.07   0.32
    35   1     0.01   0.28   0.16    -0.02  -0.22  -0.13     0.02   0.28   0.16
    36   1     0.01   0.09  -0.29     0.00   0.11  -0.35    -0.01   0.06  -0.16
    37   1    -0.18  -0.19  -0.15    -0.20  -0.24  -0.18    -0.10  -0.11  -0.08
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.3389              3070.0140              3070.2424
 Red. masses --      1.0635                 1.0633                 1.0633
 Frc consts  --      5.9032                 5.9047                 5.9053
 IR Inten    --      4.7813                 5.1299                 6.8662
 RamAct Fr= 1--    261.1482               246.1020               127.4636
  Dep-P Fr= 1--      0.0281                 0.0309                 0.0633
  Dep-U Fr= 1--      0.0547                 0.0599                 0.1191
 Alpha2 Fr= 1--      5.4332                 5.0868                 2.4391
 Beta2  Fr= 1--      2.3792                 2.4568                 2.5291
 AlphaG Fr= 1--     -0.8090                -0.7418                -0.3803
 Gamma2 Fr= 1--    -11.0662                -8.3757                10.3302
 Delta2 Fr= 1--     -5.5025                -3.6809                 8.2866
 Raman1 Fr= 1--    1044.593                984.408                509.854
 ROA1   Fr= 1--   -1238.431               -921.856               1256.873
 CID1   Fr= 1--      -1.186                 -0.936                  2.465
 Raman2 Fr= 1--      28.550                 29.482                 30.350
 ROA2   Fr= 1--    -221.568               -171.569                181.633
 CID2   Fr= 1--      -7.761                 -5.819                  5.985
 Raman3 Fr= 1--      57.100                 58.964                 60.699
 ROA3   Fr= 1--   -1238.431               -921.856               1256.873
 CID3   Fr= 1--     -21.689                -15.634                 20.707
 RC180  Fr= 1--      -0.891                 -0.880                 -0.762
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.05  -0.01
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.04   0.02   0.01
     3   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.04   0.03  -0.01    -0.01  -0.01   0.00
     8   6    -0.00   0.00  -0.00     0.01  -0.05   0.01    -0.00   0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6    -0.04  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01  -0.03   0.03     0.16   0.41  -0.39    -0.03  -0.07   0.07
    15   1     0.01  -0.01  -0.01    -0.25   0.13   0.23     0.04  -0.02  -0.04
    16   1     0.02   0.04  -0.03    -0.18  -0.40   0.39     0.04   0.08  -0.08
    17   1     0.02  -0.01   0.02    -0.27   0.08  -0.23     0.06  -0.02   0.05
    18   1     0.44   0.07   0.40     0.03   0.00   0.03     0.02   0.00   0.02
    19   1    -0.01   0.29  -0.23    -0.00   0.02  -0.02    -0.00   0.02  -0.01
    20   1    -0.44  -0.05  -0.40    -0.04  -0.00  -0.04    -0.01  -0.00  -0.01
    21   1    -0.06   0.27   0.23    -0.01   0.03   0.02    -0.00   0.00   0.00
    22   1    -0.02   0.02   0.03     0.05  -0.06  -0.07     0.27  -0.34  -0.39
    23   1    -0.02  -0.01  -0.02     0.04   0.02   0.04     0.24   0.15   0.23
    24   1     0.01  -0.02  -0.02    -0.05   0.07   0.08    -0.26   0.36   0.39
    25   1    -0.01  -0.01   0.01     0.04   0.04  -0.05     0.21   0.20  -0.24
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    27   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    29   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.01
    30   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    36   1     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.8616              3075.3033              3075.6091
 Red. masses --      1.0604                 1.0604                 1.0605
 Frc consts  --      5.9070                 5.9085                 5.9105
 IR Inten    --      3.7695                 1.5980                21.1921
 RamAct Fr= 1--     51.3142                57.0103                10.2810
  Dep-P Fr= 1--      0.7498                 0.7498                 0.7499
  Dep-U Fr= 1--      0.8570                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0000
 Beta2  Fr= 1--      7.3293                 8.1434                 1.4686
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     11.9909                13.0412                 2.1383
 Delta2 Fr= 1--      7.5076                 8.3479                 1.4515
 Raman1 Fr= 1--     205.257                228.041                 41.124
 ROA1   Fr= 1--    1391.373               1519.083                251.719
 CID1   Fr= 1--       6.779                  6.661                  6.121
 Raman2 Fr= 1--      87.952                 97.720                 17.623
 ROA2   Fr= 1--     227.722                246.205                 39.706
 CID2   Fr= 1--       2.589                  2.519                  2.253
 Raman3 Fr= 1--     175.904                195.441                 35.246
 ROA3   Fr= 1--    1391.373               1519.083                251.719
 CID3   Fr= 1--       7.910                  7.773                  7.142
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00  -0.03  -0.00     0.01   0.04   0.00
     2   6    -0.01   0.00   0.00     0.03  -0.00  -0.00    -0.04   0.01   0.00
     3   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6    -0.01  -0.00   0.00    -0.04  -0.02   0.00    -0.02  -0.01   0.00
     8   6     0.00  -0.01   0.00     0.01  -0.04   0.00     0.01  -0.02   0.00
     9   7     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.04   0.03  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.03   0.08  -0.07     0.11   0.28  -0.27     0.07   0.18  -0.18
    15   1    -0.07   0.04   0.07    -0.28   0.15   0.25    -0.19   0.10   0.17
    16   1     0.03   0.06  -0.06     0.12   0.28  -0.28     0.08   0.18  -0.17
    17   1     0.07  -0.02   0.06     0.31  -0.10   0.26     0.20  -0.06   0.16
    18   1     0.35   0.05   0.32    -0.04  -0.01  -0.03    -0.08  -0.01  -0.08
    19   1    -0.01   0.37  -0.30     0.00  -0.04   0.03     0.00  -0.09   0.07
    20   1     0.36   0.04   0.33    -0.02  -0.00  -0.02    -0.09  -0.01  -0.08
    21   1     0.08  -0.37  -0.30    -0.01   0.03   0.02    -0.02   0.09   0.07
    22   1     0.03  -0.04  -0.04    -0.13   0.17   0.19     0.19  -0.24  -0.27
    23   1     0.05   0.03   0.04    -0.19  -0.12  -0.18     0.27   0.17   0.26
    24   1     0.04  -0.05  -0.06    -0.12   0.16   0.18     0.18  -0.24  -0.27
    25   1    -0.05  -0.04   0.05     0.16   0.15  -0.17    -0.24  -0.22   0.25
    26   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    28   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1    -0.01   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.2043              3115.4595              3115.5691
 Red. masses --      1.1072                 1.1074                 1.1074
 Frc consts  --      6.3308                 6.3326                 6.3333
 IR Inten    --      9.7779                10.7282                 3.7552
 RamAct Fr= 1--    138.2330               134.2433               149.8377
  Dep-P Fr= 1--      0.5026                 0.6026                 0.1683
  Dep-U Fr= 1--      0.6690                 0.7520                 0.2880
 Alpha2 Fr= 1--      0.6742                 0.3658                 2.2108
 Beta2  Fr= 1--     15.4131                16.8259                 7.1933
 AlphaG Fr= 1--      0.1042                 0.0567                 0.3700
 Gamma2 Fr= 1--    -33.8593               -41.6901                 8.8417
 Delta2 Fr= 1--    -24.9207               -31.3859                11.5964
 Raman1 Fr= 1--     552.932                536.973                599.351
 ROA1   Fr= 1--   -4047.959              -5006.598               1219.884
 CID1   Fr= 1--      -7.321                 -9.324                  2.035
 Raman2 Fr= 1--     184.958                201.911                 86.320
 ROA2   Fr= 1--    -613.259               -749.475                119.429
 CID2   Fr= 1--      -3.316                 -3.712                  1.384
 Raman3 Fr= 1--     369.915                403.823                172.639
 ROA3   Fr= 1--   -4047.959              -5006.598               1219.884
 CID3   Fr= 1--     -10.943                -12.398                  7.066
 RC180  Fr= 1--       0.338                  0.504                 -0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.02  -0.00   0.02    -0.04  -0.01   0.05
     2   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02    -0.02  -0.03  -0.05
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01    -0.03   0.03  -0.05     0.01  -0.01   0.02
     8   6     0.01   0.00  -0.01    -0.04  -0.00   0.05     0.02   0.00  -0.02
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.01
    12   6    -0.01  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01  -0.03   0.03     0.09   0.23  -0.22    -0.04  -0.10   0.09
    15   1    -0.05   0.03   0.05     0.37  -0.22  -0.34    -0.16   0.09   0.15
    16   1     0.01   0.03  -0.03    -0.11  -0.23   0.22     0.05   0.10  -0.09
    17   1    -0.05   0.01  -0.04     0.42  -0.11   0.34    -0.18   0.05  -0.14
    18   1    -0.27  -0.05  -0.23    -0.02  -0.00  -0.02     0.03   0.01   0.03
    19   1     0.00   0.47  -0.37     0.00   0.04  -0.03    -0.00  -0.06   0.05
    20   1     0.27   0.02   0.23     0.02   0.00   0.02    -0.04  -0.00  -0.03
    21   1    -0.12   0.46   0.36    -0.01   0.03   0.03     0.02  -0.06  -0.05
    22   1    -0.02   0.02   0.02    -0.07   0.09   0.10    -0.16   0.19   0.22
    23   1     0.04   0.02   0.03     0.17   0.10   0.15     0.37   0.21   0.33
    24   1     0.02  -0.02  -0.02     0.06  -0.09  -0.10     0.14  -0.21  -0.22
    25   1     0.03   0.03  -0.04     0.14   0.13  -0.15     0.31   0.31  -0.34
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    28   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.01
    36   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.00   0.00  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5132              3125.9479              3126.0975
 Red. masses --      1.1101                 1.1101                 1.1101
 Frc consts  --      6.3894                 6.3909                 6.3915
 IR Inten    --      4.2602                 4.2249                 4.3967
 RamAct Fr= 1--     47.9028                47.2173                53.2790
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7498
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0002
 Beta2  Fr= 1--      6.8426                 6.7453                 7.6102
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0001
 Gamma2 Fr= 1--     28.9624                28.3385                32.9980
 Delta2 Fr= 1--      5.5795                 5.1620                 6.2588
 Raman1 Fr= 1--     191.611                188.869                213.116
 ROA1   Fr= 1--    2958.932               2885.682               3368.089
 CID1   Fr= 1--      15.442                 15.279                 15.804
 Raman2 Fr= 1--      82.111                 80.944                 91.322
 ROA2   Fr= 1--     650.460                638.828                741.881
 CID2   Fr= 1--       7.922                  7.892                  8.124
 Raman3 Fr= 1--     164.222                161.888                182.644
 ROA3   Fr= 1--    2958.932               2885.682               3368.089
 CID3   Fr= 1--      18.018                 17.825                 18.441
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.00  -0.05
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.04  -0.05
     3   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.02   0.04  -0.05     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.04   0.01  -0.05    -0.00  -0.00   0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.03  -0.03   0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.02   0.03   0.05     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.01    -0.13  -0.36   0.33     0.01   0.02  -0.02
    15   1     0.01  -0.00  -0.01    -0.34   0.20   0.30     0.02  -0.01  -0.02
    16   1     0.00   0.01  -0.01    -0.16  -0.34   0.32     0.01   0.02  -0.02
    17   1    -0.01   0.00  -0.01     0.38  -0.10   0.30    -0.03   0.01  -0.02
    18   1    -0.37  -0.06  -0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    19   1     0.00   0.39  -0.30     0.00   0.01  -0.01    -0.00   0.01  -0.01
    20   1    -0.38  -0.03  -0.33    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    21   1     0.10  -0.38  -0.31     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    22   1     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.24   0.29   0.33
    23   1    -0.01  -0.00  -0.01     0.02   0.01   0.02     0.34   0.19   0.30
    24   1     0.00  -0.00  -0.00    -0.02   0.02   0.02    -0.22   0.31   0.33
    25   1     0.00   0.00  -0.00    -0.02  -0.02   0.02    -0.27  -0.27   0.30
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    33   1     0.01  -0.01   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   1    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.8540              3431.3797              3431.6221
 Red. masses --      1.0529                 1.0529                 1.0529
 Frc consts  --      7.3022                 7.3044                 7.3054
 IR Inten    --    171.8403                42.0467                29.9404
 RamAct Fr= 1--      2.2838                18.9972                 2.2084
  Dep-P Fr= 1--      0.2638                 0.0908                 0.6985
  Dep-U Fr= 1--      0.4175                 0.1664                 0.8225
 Alpha2 Fr= 1--      0.0260                 0.3402                 0.0020
 Beta2  Fr= 1--      0.1589                 0.5269                 0.3027
 AlphaG Fr= 1--     -0.0016                -0.0692                -0.0001
 Gamma2 Fr= 1--      0.5112                 7.4329                10.9008
 Delta2 Fr= 1--     -0.1640                 0.0402                -1.1471
 Raman1 Fr= 1--       9.135                 75.989                  8.834
 ROA1   Fr= 1--      43.830                714.844               1009.765
 CID1   Fr= 1--       4.798                  9.407                114.310
 Raman2 Fr= 1--       1.907                  6.323                  3.633
 ROA2   Fr= 1--      13.582                178.068                270.795
 CID2   Fr= 1--       7.123                 28.163                 74.541
 Raman3 Fr= 1--       3.814                 12.645                  7.266
 ROA3   Fr= 1--      43.830                714.844               1009.765
 CID3   Fr= 1--      11.493                 56.530                138.977
 RC180  Fr= 1--      -0.165                 -0.667                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.01
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00  -0.00   0.01
     6   7    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04     0.00   0.01   0.03
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.03
    10   7     0.01   0.00  -0.04    -0.01  -0.00   0.03    -0.00  -0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.02     0.00   0.00  -0.01     0.01   0.00  -0.04
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    19   1     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00   0.01
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.16  -0.16   0.05    -0.10   0.10  -0.03    -0.04   0.04  -0.01
    27   1    -0.11   0.10   0.24     0.07  -0.07  -0.16     0.03  -0.03  -0.06
    28   1     0.07  -0.13   0.03     0.11  -0.20   0.05    -0.07   0.12  -0.03
    29   1    -0.05   0.09   0.16    -0.07   0.14   0.25     0.04  -0.08  -0.15
    30   1    -0.19  -0.05   0.04    -0.09  -0.02   0.02    -0.38  -0.10   0.09
    31   1     0.14   0.04   0.22     0.07   0.02   0.11     0.26   0.08   0.43
    32   1    -0.40   0.00   0.09     0.34  -0.00  -0.07     0.10  -0.00  -0.02
    33   1     0.29  -0.01   0.45    -0.24   0.01  -0.37    -0.07   0.00  -0.12
    34   1     0.06   0.22   0.05     0.10   0.36   0.08    -0.07  -0.25  -0.06
    35   1    -0.04  -0.16   0.26    -0.06  -0.26   0.42     0.04   0.18  -0.29
    36   1     0.09   0.15   0.04     0.08   0.14   0.04     0.16   0.28   0.07
    37   1    -0.07  -0.11   0.20    -0.06  -0.09   0.17    -0.12  -0.19   0.36
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3432.5865              3432.6909              3433.1997
 Red. masses --      1.0530                 1.0530                 1.0532
 Frc consts  --      7.3099                 7.3107                 7.3137
 IR Inten    --     12.8414                 0.8203                 1.2218
 RamAct Fr= 1--     17.4940                20.8225               408.9584
  Dep-P Fr= 1--      0.6700                 0.5130                 0.0184
  Dep-U Fr= 1--      0.8024                 0.6781                 0.0361
 Alpha2 Fr= 1--      0.0248                 0.0967                 8.7047
 Beta2  Fr= 1--      2.3395                 2.3532                 2.4637
 AlphaG Fr= 1--     -0.0035                -0.0229                -1.6148
 Gamma2 Fr= 1--     -5.0133                -2.7094                -2.3704
 Delta2 Fr= 1--     -0.5008                -1.4679                -2.3349
 Raman1 Fr= 1--      69.976                 83.290               1635.834
 ROA1   Fr= 1--    -497.307               -307.077               -302.279
 CID1   Fr= 1--      -7.107                 -3.687                 -0.185
 Raman2 Fr= 1--      28.073                 28.239                 29.565
 ROA2   Fr= 1--    -116.314                -53.282                -38.212
 CID2   Fr= 1--      -4.143                 -1.887                 -1.292
 Raman3 Fr= 1--      56.147                 56.478                 59.130
 ROA3   Fr= 1--    -497.307               -307.077               -302.279
 CID3   Fr= 1--      -8.857                 -5.437                 -5.112
 RC180  Fr= 1--       0.605                  0.356                 -0.928
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00   0.00  -0.03     0.00  -0.01   0.03    -0.00   0.01  -0.03
     4  45     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.01  -0.04    -0.00   0.00  -0.01     0.00  -0.00   0.03
     6   7     0.00   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.02
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00  -0.01  -0.04    -0.00  -0.00  -0.02
    10   7    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00   0.01    -0.01  -0.00   0.03    -0.00  -0.00   0.02
    14   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   1     0.31  -0.31   0.10     0.08  -0.08   0.03    -0.20   0.20  -0.06
    27   1    -0.23   0.21   0.49    -0.06   0.06   0.13     0.15  -0.14  -0.31
    28   1     0.13  -0.24   0.06    -0.14   0.25  -0.06     0.16  -0.29   0.07
    29   1    -0.09   0.17   0.30     0.09  -0.18  -0.31    -0.11   0.21   0.37
    30   1     0.07   0.02  -0.02     0.31   0.09  -0.07     0.21   0.06  -0.05
    31   1    -0.05  -0.02  -0.08    -0.22  -0.07  -0.36    -0.15  -0.05  -0.24
    32   1     0.21  -0.00  -0.05     0.03  -0.00  -0.01    -0.15   0.00   0.03
    33   1    -0.15   0.01  -0.24    -0.02   0.00  -0.03     0.11  -0.01   0.18
    34   1    -0.05  -0.18  -0.04     0.03   0.11   0.03    -0.05  -0.20  -0.05
    35   1     0.03   0.13  -0.21    -0.02  -0.08   0.13     0.03   0.15  -0.24
    36   1     0.03   0.04   0.01     0.19   0.32   0.08     0.12   0.20   0.05
    37   1    -0.02  -0.03   0.06    -0.15  -0.23   0.42    -0.09  -0.14   0.26
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3481.5083              3482.0571              3482.1925
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8013                 7.8032                 7.8031
 IR Inten    --     31.4116                33.8102                24.6513
 RamAct Fr= 1--     29.4481                21.0662                25.5713
  Dep-P Fr= 1--      0.6092                 0.5939                 0.7500
  Dep-U Fr= 1--      0.7572                 0.7453                 0.8571
 Alpha2 Fr= 1--      0.0763                 0.0611                 0.0000
 Beta2  Fr= 1--      3.7161                 2.6166                 3.6530
 AlphaG Fr= 1--      0.2866                 0.2448                 0.0003
 Gamma2 Fr= 1--      7.5937                16.8728               -40.7110
 Delta2 Fr= 1--     -0.0872                 1.7989               -15.6846
 Raman1 Fr= 1--     117.792                 84.265                102.285
 ROA1   Fr= 1--     726.205               1677.356              -4410.162
 CID1   Fr= 1--       6.165                 19.906                -43.116
 Raman2 Fr= 1--      44.594                 31.399                 43.836
 ROA2   Fr= 1--     182.947                390.556               -851.587
 CID2   Fr= 1--       4.103                 12.438                -19.427
 Raman3 Fr= 1--      89.187                 62.798                 87.672
 ROA3   Fr= 1--     726.205               1677.356              -4410.162
 CID3   Fr= 1--       8.142                 26.710                -50.303
 RC180  Fr= 1--       0.514                  0.491                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.00  -0.00  -0.00    -0.01   0.02   0.01    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.00  -0.02   0.01     0.01   0.03  -0.01    -0.02  -0.06   0.02
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00  -0.01   0.00
    10   7    -0.07   0.00  -0.02    -0.01   0.00  -0.00     0.01  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.06  -0.02  -0.02    -0.02  -0.01  -0.01
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.01  -0.01
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.00   0.01     0.00   0.00   0.00
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.03   0.03  -0.01    -0.02   0.02  -0.01     0.02  -0.03   0.01
    27   1    -0.01   0.01   0.03    -0.01   0.01   0.02     0.01  -0.01  -0.02
    28   1    -0.01   0.02  -0.01     0.10  -0.17   0.05     0.18  -0.31   0.10
    29   1    -0.00   0.01   0.02     0.03  -0.07  -0.13     0.06  -0.13  -0.25
    30   1     0.00   0.00  -0.00     0.62   0.16  -0.17     0.21   0.06  -0.06
    31   1     0.00   0.00   0.00     0.24   0.08   0.44     0.09   0.03   0.16
    32   1     0.74   0.00  -0.20     0.06  -0.00  -0.02    -0.13   0.00   0.04
    33   1     0.29  -0.02   0.51     0.03  -0.00   0.04    -0.05   0.00  -0.09
    34   1     0.05   0.17   0.05    -0.08  -0.30  -0.08     0.16   0.60   0.17
    35   1     0.01   0.07  -0.12    -0.02  -0.12   0.21     0.05   0.24  -0.42
    36   1    -0.03  -0.05  -0.01    -0.09  -0.16  -0.05     0.03   0.06   0.02
    37   1    -0.01  -0.02   0.03    -0.04  -0.06   0.13     0.01   0.02  -0.04
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.2279              3482.5349              3482.6118
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8045                 7.8050                 7.8051
 IR Inten    --     28.2080                53.5974                30.2478
 RamAct Fr= 1--     38.3707                 8.6791                30.8114
  Dep-P Fr= 1--      0.5711                 0.7119                 0.7314
  Dep-U Fr= 1--      0.7270                 0.8317                 0.8449
 Alpha2 Fr= 1--      0.1294                 0.0057                 0.0098
 Beta2  Fr= 1--      4.6494                 1.2031                 4.3387
 AlphaG Fr= 1--      0.4901                 0.0226                 0.0371
 Gamma2 Fr= 1--     34.1807                -6.4536               -36.4582
 Delta2 Fr= 1--      7.1996                 5.8792                 1.5608
 Raman1 Fr= 1--     153.483                 34.716                123.246
 ROA1   Fr= 1--    3511.737               -431.411              -3450.038
 CID1   Fr= 1--      22.880                -12.427                -27.993
 Raman2 Fr= 1--      55.792                 14.437                 52.064
 ROA2   Fr= 1--     762.741               -201.919               -887.482
 CID2   Fr= 1--      13.671                -13.986                -17.046
 Raman3 Fr= 1--     111.585                 28.874                104.128
 ROA3   Fr= 1--    3511.737               -431.411              -3450.038
 CID3   Fr= 1--      31.471                -14.941                -33.133
 RC180  Fr= 1--       0.454                  0.663                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.03  -0.05  -0.02    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.03  -0.03  -0.01     0.03  -0.03  -0.01     0.04  -0.03  -0.01
     6   7     0.00   0.01  -0.00    -0.01  -0.02   0.01     0.00   0.01  -0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.03  -0.05   0.02     0.01   0.02  -0.01     0.02   0.03  -0.01
    10   7    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.00    -0.02  -0.01  -0.01     0.03   0.01   0.01
    14   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.00  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.01   0.01   0.01    -0.00   0.01   0.01    -0.00   0.01   0.01
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.31   0.31  -0.12    -0.28   0.28  -0.11    -0.34   0.34  -0.13
    27   1    -0.13   0.12   0.30    -0.12   0.11   0.27    -0.14   0.13   0.33
    28   1     0.03  -0.05   0.02    -0.26   0.44  -0.14     0.19  -0.33   0.10
    29   1     0.01  -0.02  -0.04    -0.09   0.19   0.36     0.07  -0.14  -0.27
    30   1     0.09   0.02  -0.02     0.20   0.05  -0.05    -0.26  -0.07   0.07
    31   1     0.03   0.01   0.06     0.08   0.03   0.14    -0.10  -0.03  -0.19
    32   1     0.04   0.00  -0.01    -0.12   0.00   0.03    -0.02   0.00   0.01
    33   1     0.02  -0.00   0.03    -0.05   0.00  -0.08    -0.01   0.00  -0.02
    34   1    -0.03  -0.10  -0.03     0.06   0.24   0.07    -0.02  -0.06  -0.02
    35   1    -0.01  -0.04   0.06     0.02   0.09  -0.17    -0.01  -0.03   0.04
    36   1     0.30   0.53   0.17    -0.11  -0.19  -0.06    -0.18  -0.31  -0.10
    37   1     0.13   0.20  -0.42    -0.05  -0.07   0.15    -0.08  -0.12   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2545.129212547.041233955.93264
           X            1.00000  -0.00201  -0.00001
           Y            0.00201   1.00000  -0.00001
           Z            0.00001   0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03403     0.03401     0.02189
 Rotational constants (GHZ):           0.70910     0.70856     0.45621
 Zero-point vibrational energy     926060.3 (Joules/Mol)
                                  221.33371 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    120.10   123.15   167.12   205.89   206.96
          (Kelvin)            234.94   308.55   309.38   317.78   353.19
                              433.18   434.00   440.24   471.24   472.31
                              578.94   585.44   585.86   666.53   667.03
                              720.66   771.60   771.81   816.43   991.54
                              992.71  1005.01  1030.38  1109.35  1110.70
                             1246.58  1246.65  1250.02  1250.24  1250.40
                             1263.31  1410.93  1415.00  1415.14  1440.90
                             1440.94  1448.56  1510.23  1510.33  1510.61
                             1603.28  1603.61  1616.34  1685.36  1686.03
                             1708.83  1759.55  1760.50  1794.23  1858.18
                             1858.79  1870.24  1914.11  1914.32  1933.53
                             1938.74  1938.98  1945.40  2020.89  2020.99
                             2026.22  2075.21  2075.25  2081.36  2162.49
                             2162.69  2163.35  2163.99  2164.59  2165.07
                             2370.23  2383.78  2384.28  2389.63  2397.21
                             2397.69  4416.09  4417.07  4417.39  4424.04
                             4424.68  4425.12  4482.08  4482.45  4482.61
                             4496.92  4497.54  4497.76  4936.23  4936.99
                             4937.34  4938.73  4938.88  4939.61  5009.11
                             5009.90  5010.10  5010.15  5010.59  5010.70
 
 Zero-point correction=                           0.352718 (Hartree/Particle)
 Thermal correction to Energy=                    0.367705
 Thermal correction to Enthalpy=                  0.368649
 Thermal correction to Gibbs Free Energy=         0.312298
 Sum of electronic and zero-point Energies=           -681.283374
 Sum of electronic and thermal Energies=              -681.268387
 Sum of electronic and thermal Enthalpies=            -681.267443
 Sum of electronic and thermal Free Energies=         -681.323794
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.738             60.508            118.601
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.617
 Vibrational            228.961             54.546             44.164
 Vibration     1          0.600              1.961              3.807
 Vibration     2          0.601              1.959              3.758
 Vibration     3          0.608              1.936              3.163
 Vibration     4          0.616              1.910              2.762
 Vibration     5          0.616              1.909              2.752
 Vibration     6          0.623              1.887              2.511
 Vibration     7          0.644              1.819              2.005
 Vibration     8          0.645              1.818              2.001
 Vibration     9          0.648              1.809              1.952
 Vibration    10          0.660              1.770              1.763
 Vibration    11          0.693              1.672              1.411
 Vibration    12          0.694              1.671              1.408
 Vibration    13          0.696              1.662              1.384
 Vibration    14          0.711              1.620              1.272
 Vibration    15          0.711              1.619              1.269
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.772              1.455              0.938
 Vibration    18          0.772              1.455              0.937
 Vibration    19          0.821              1.332              0.757
 Vibration    20          0.821              1.331              0.756
 Vibration    21          0.856              1.248              0.656
 Vibration    22          0.891              1.170              0.573
 Vibration    23          0.891              1.169              0.573
 Vibration    24          0.923              1.102              0.509
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.225495-143       -143.646863       -330.759126
 Total V=0       0.390735D+19         18.591883         42.809392
 Vib (Bot)       0.664362-158       -158.177595       -364.217373
 Vib (Bot)    1  0.246572D+01          0.391944          0.902483
 Vib (Bot)    2  0.240400D+01          0.380934          0.877133
 Vib (Bot)    3  0.176086D+01          0.245725          0.565803
 Vib (Bot)    4  0.141970D+01          0.152197          0.350446
 Vib (Bot)    5  0.141211D+01          0.149868          0.345085
 Vib (Bot)    6  0.123677D+01          0.092291          0.212507
 Vib (Bot)    7  0.924492D+00         -0.034097         -0.078511
 Vib (Bot)    8  0.921771D+00         -0.035377         -0.081459
 Vib (Bot)    9  0.895244D+00         -0.048058         -0.110659
 Vib (Bot)   10  0.796748D+00         -0.098679         -0.227217
 Vib (Bot)   11  0.631273D+00         -0.199783         -0.460017
 Vib (Bot)   12  0.629872D+00         -0.200747         -0.462238
 Vib (Bot)   13  0.619423D+00         -0.208013         -0.478968
 Vib (Bot)   14  0.571343D+00         -0.243103         -0.559765
 Vib (Bot)   15  0.569790D+00         -0.244285         -0.562488
 Vib (Bot)   16  0.442176D+00         -0.354404         -0.816046
 Vib (Bot)   17  0.435812D+00         -0.360700         -0.830543
 Vib (Bot)   18  0.435406D+00         -0.361105         -0.831475
 Vib (Bot)   19  0.366159D+00         -0.436330         -1.004688
 Vib (Bot)   20  0.365781D+00         -0.436778         -1.005719
 Vib (Bot)   21  0.327867D+00         -0.484302         -1.115147
 Vib (Bot)   22  0.296462D+00         -0.528032         -1.215838
 Vib (Bot)   23  0.296342D+00         -0.528206         -1.216240
 Vib (Bot)   24  0.271905D+00         -0.565582         -1.302301
 Vib (V=0)       0.115120D+05          4.061151          9.351145
 Vib (V=0)    1  0.301590D+01          0.479417          1.103899
 Vib (V=0)    2  0.295544D+01          0.470623          1.083649
 Vib (V=0)    3  0.233047D+01          0.367444          0.846071
 Vib (V=0)    4  0.200517D+01          0.302152          0.695731
 Vib (V=0)    5  0.199802D+01          0.300599          0.692155
 Vib (V=0)    6  0.183402D+01          0.263404          0.606511
 Vib (V=0)    7  0.155104D+01          0.190623          0.438926
 Vib (V=0)    8  0.154865D+01          0.189952          0.437382
 Vib (V=0)    9  0.152541D+01          0.183386          0.422262
 Vib (V=0)   10  0.144064D+01          0.158556          0.365089
 Vib (V=0)   11  0.130530D+01          0.115710          0.266432
 Vib (V=0)   12  0.130420D+01          0.115345          0.265591
 Vib (V=0)   13  0.129604D+01          0.112619          0.259316
 Vib (V=0)   14  0.125923D+01          0.100106          0.230502
 Vib (V=0)   15  0.125806D+01          0.099703          0.229574
 Vib (V=0)   16  0.116747D+01          0.067247          0.154841
 Vib (V=0)   17  0.116327D+01          0.065682          0.151239
 Vib (V=0)   18  0.116301D+01          0.065582          0.151009
 Vib (V=0)   19  0.111974D+01          0.049116          0.113093
 Vib (V=0)   20  0.111951D+01          0.049029          0.112894
 Vib (V=0)   21  0.109791D+01          0.040567          0.093409
 Vib (V=0)   22  0.108128D+01          0.033939          0.078148
 Vib (V=0)   23  0.108122D+01          0.033915          0.078092
 Vib (V=0)   24  0.106915D+01          0.029039          0.066865
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181277D+07          6.258343         14.410367
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000014083    0.000001070   -0.000028809
      2        6           0.000003271   -0.000003666    0.000013123
      3        7           0.000040289    0.000003240   -0.000023439
      4       45          -0.000092645   -0.000040631   -0.000005690
      5        7           0.000020917   -0.000036648    0.000073159
      6        7          -0.000011403    0.000011425   -0.000002752
      7        6          -0.000002563   -0.000008075   -0.000006494
      8        6           0.000015348   -0.000004396    0.000016935
      9        7           0.000005582    0.000007291   -0.000078653
     10        7          -0.000017538    0.000033977   -0.000077852
     11        6          -0.000021644    0.000017925    0.000028544
     12        6          -0.000017572    0.000000981    0.000016120
     13        7           0.000074341   -0.000009136    0.000009715
     14        1          -0.000009784   -0.000002835    0.000048362
     15        1          -0.000000105   -0.000000451    0.000001678
     16        1          -0.000007679    0.000000407   -0.000000591
     17        1          -0.000000667   -0.000001352    0.000001765
     18        1           0.000003844   -0.000004862    0.000008021
     19        1           0.000000915   -0.000000949   -0.000002012
     20        1           0.000001755    0.000009231   -0.000018427
     21        1           0.000001133    0.000000281   -0.000002184
     22        1           0.000006796    0.000026127    0.000020735
     23        1          -0.000000621   -0.000001091   -0.000000406
     24        1           0.000029213   -0.000011968   -0.000051467
     25        1          -0.000000084    0.000001632    0.000000053
     26        1           0.000017803    0.000016957   -0.000024197
     27        1          -0.000013330   -0.000018114    0.000004468
     28        1           0.000024182   -0.000000748    0.000025622
     29        1           0.000002504   -0.000018473    0.000015697
     30        1          -0.000002180   -0.000009151   -0.000010645
     31        1          -0.000000436    0.000017709   -0.000020059
     32        1           0.000010304   -0.000010542    0.000020328
     33        1          -0.000001202    0.000024548    0.000002895
     34        1          -0.000005544   -0.000035706    0.000002755
     35        1           0.000006964    0.000034475   -0.000015904
     36        1          -0.000033009    0.000003133    0.000035024
     37        1          -0.000013073    0.000008383    0.000024584
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092645 RMS     0.000023815
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154664D+03 -0.173099D-01  0.586794D-02
      2  -0.173099D-01  0.154593D+03  0.442262D-02
      3   0.586794D-02  0.442262D-02  0.120347D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.480121D+01  0.112875D-01  0.118212D-01
      2  -0.229493D-01  0.483133D+01  0.282726D-01
      3  -0.409297D-01 -0.168731D+00 -0.799564D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.323150D+02 -0.795845D+02 -0.599151D-02
      2  -0.323172D+02  0.796559D+02 -0.179810D-01
      3   0.224070D-02 -0.713980D-01  0.239725D-01
      4  -0.796140D+02 -0.322452D+02  0.712574D-02
      5  -0.473607D-01  0.640094D+01  0.103955D-01
      6  -0.637512D+01 -0.410933D-01 -0.521318D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.480279D+00  0.164013D+01 -0.162933D+01  0.793673D+00  0.924187D+00
      2   0.164013D+01  0.196381D+01 -0.338549D+01  0.924187D+00  0.302389D+01
      3  -0.162933D+01 -0.338549D+01 -0.157937D+00 -0.343453D+01 -0.443556D+00
                 6             7             8             9            10 
      1  -0.343453D+01 -0.200083D+01 -0.473008D+01  0.330571D+00  0.391258D+01
      2  -0.443556D+00 -0.473008D+01 -0.131108D+01  0.268535D+01  0.511505D+00
      3   0.166777D+01  0.330571D+00  0.268535D+01 -0.331451D+00  0.225997D+01
                11            12            13            14            15 
      1   0.511505D+00  0.225997D+01  0.170779D+01  0.955822D+00  0.319445D+01
      2   0.319757D+00  0.323170D+01  0.955822D+00 -0.384072D+00 -0.191651D+00
      3   0.323170D+01  0.152922D+01  0.319445D+01 -0.191651D+00 -0.603791D+00
                16            17            18            19            20 
      1   0.369932D+01  0.422291D+01  0.265339D+01 -0.864109D+01 -0.164308D+01
      2   0.422291D+01 -0.471432D+00 -0.403071D+00 -0.164308D+01  0.431993D+00
      3   0.265339D+01 -0.403071D+00  0.300560D+00 -0.385596D+01 -0.225112D+01
                21            22            23            24            25 
      1  -0.385596D+01 -0.401144D+01 -0.449083D+00 -0.274344D+01 -0.263107D+01
      2  -0.225112D+01 -0.449083D+00 -0.123497D+01 -0.538329D-02 -0.139084D+01
      3  -0.161132D+01 -0.274344D+01 -0.538329D-02  0.362964D+00 -0.186474D+01
                26            27            28            29            30 
      1  -0.139084D+01 -0.186474D+01 -0.740498D+00  0.126737D+01 -0.901317D-01
      2   0.496877D-01  0.106201D+01  0.126737D+01  0.486506D+00 -0.162383D+01
      3   0.106201D+01  0.704985D+00 -0.901317D-01 -0.162383D+01 -0.638250D-01
                31            32            33            34            35 
      1   0.125337D+01  0.621680D+00  0.160911D+01 -0.176648D+00 -0.119798D-01
      2   0.621680D+00 -0.146818D+01 -0.912592D-03 -0.119798D-01 -0.756715D-01
      3   0.160911D+01 -0.912592D-03 -0.386469D-01 -0.676747D-01 -0.205348D-01
                36            37            38            39            40 
      1  -0.676747D-01 -0.192546D+01 -0.204659D+01  0.156688D+01 -0.603480D+00
      2  -0.205348D-01 -0.204659D+01 -0.537652D+01  0.339082D+01 -0.336853D+01
      3  -0.468496D-01  0.156688D+01  0.339082D+01 -0.786553D-01  0.289539D+01
                41            42            43            44            45 
      1  -0.336853D+01  0.289539D+01  0.987292D+00  0.193603D+01  0.497318D+00
      2  -0.606153D+01  0.232818D+01  0.193603D+01  0.185067D+01 -0.212572D+01
      3   0.232818D+01 -0.166018D+01  0.497318D+00 -0.212572D+01 -0.669661D+00
                46            47            48            49            50 
      1   0.985866D+01  0.842430D+00  0.493614D+01 -0.159284D+01 -0.250824D-01
      2   0.842430D+00 -0.296500D+00 -0.986438D+00 -0.250824D-01 -0.136220D+01
      3   0.493614D+01 -0.986438D+00  0.152694D+01 -0.145726D+01 -0.925605D+00
                51            52            53            54            55 
      1  -0.145726D+01  0.336505D+01 -0.575495D+00  0.163423D+01 -0.438118D+01
      2  -0.925605D+00 -0.575495D+00 -0.479226D+00  0.148950D+01 -0.362194D+00
      3   0.777865D+00  0.163423D+01  0.148950D+01 -0.623466D+00 -0.367467D+01
                56            57            58            59            60 
      1  -0.362194D+00 -0.367467D+01  0.101059D+01 -0.418868D+00  0.216471D+01
      2  -0.208094D+00  0.222780D+01 -0.418868D+00 -0.768161D+00  0.163621D+01
      3   0.222780D+01 -0.139260D+01  0.216471D+01  0.163621D+01 -0.961459D+00
                61            62            63            64            65 
      1  -0.548692D+01  0.263695D+01 -0.247022D+01 -0.172751D+01  0.213346D+01
      2   0.263695D+01  0.229734D+01 -0.104487D+01  0.213346D+01 -0.159775D+01
      3  -0.247022D+01 -0.104487D+01 -0.307775D+00  0.323038D+01 -0.263848D+01
                66            67            68            69            70 
      1   0.323038D+01  0.100886D+01 -0.874815D+00 -0.270482D+01  0.426652D+01
      2  -0.263848D+01 -0.874815D+00  0.206819D+01 -0.115327D+01 -0.393459D+01
      3  -0.255402D+00 -0.270482D+01 -0.115327D+01  0.164396D+01 -0.991570D+00
                71            72            73            74            75 
      1  -0.393459D+01 -0.991570D+00  0.366007D+01 -0.363991D+01 -0.316570D+01
      2  -0.985541D+00  0.247154D+01 -0.363991D+01  0.499425D+01  0.317508D+01
      3   0.247154D+01  0.301350D+00 -0.316570D+01  0.317508D+01  0.491024D+00
                76            77            78            79            80 
      1  -0.168036D+01  0.341306D+01  0.264776D+01 -0.188164D+01  0.190310D+01
      2   0.341306D+01 -0.279475D+01 -0.718101D+00  0.190310D+01 -0.756959D+00
      3   0.264776D+01 -0.718101D+00 -0.156977D+01  0.560783D-01 -0.215914D+01
                81            82            83            84            85 
      1   0.560783D-01 -0.112409D+01  0.745299D+00  0.116577D+01  0.110355D+01
      2  -0.215914D+01  0.745299D+00  0.732970D+00 -0.184505D+00  0.322420D+01
      3   0.686552D+00  0.116577D+01 -0.184505D+00  0.112876D+01 -0.679173D+00
                86            87            88            89            90 
      1   0.322420D+01 -0.679173D+00  0.567670D+00 -0.480542D+00  0.186064D+01
      2   0.875434D+01 -0.511103D+01 -0.480542D+00 -0.335746D+01  0.115407D+01
      3  -0.511103D+01  0.122697D+01  0.186064D+01  0.115407D+01  0.657991D+00
                91            92            93            94            95 
      1  -0.986272D+00 -0.266430D+00 -0.237216D+01 -0.382247D+00 -0.129980D+01
      2  -0.266430D+00  0.435810D-02 -0.517620D+00 -0.129980D+01 -0.413739D+01
      3  -0.237216D+01 -0.517620D+00 -0.130301D+01 -0.596048D+00  0.449331D+01
                96            97            98            99           100 
      1  -0.596048D+00 -0.303716D+01 -0.302396D+00 -0.167305D+01  0.136248D+01
      2   0.449331D+01 -0.302396D+00  0.633934D+01 -0.209996D+01 -0.519654D+00
      3  -0.107756D+01 -0.167305D+01 -0.209996D+01  0.310221D+00  0.219678D+01
               101           102           103           104           105 
      1  -0.519654D+00  0.219678D+01 -0.965946D+00  0.200793D+01  0.115966D+01
      2   0.699471D+00  0.123980D+01  0.200793D+01 -0.312098D+01 -0.425049D+01
      3   0.123980D+01  0.153217D+01  0.115966D+01 -0.425049D+01 -0.692164D+00
               106           107           108           109           110 
      1   0.257937D+01  0.204611D+01  0.216253D+01 -0.206103D+00  0.224447D+01
      2   0.204611D+01 -0.588524D+01 -0.161213D+01  0.224447D+01 -0.198196D+01
      3   0.216253D+01 -0.161213D+01 -0.314276D+00 -0.557351D+00 -0.169206D+01
               111           112           113           114           115 
      1  -0.557351D+00  0.326474D+01 -0.421938D+01 -0.215528D+01 -0.534794D-01
      2  -0.169206D+01 -0.421938D+01  0.637480D+01  0.445416D+01 -0.134283D+01
      3  -0.141755D+01 -0.215528D+01  0.445416D+01  0.867580D+00 -0.208949D+01
               116           117           118           119           120 
      1  -0.134283D+01 -0.208949D+01 -0.546154D+00 -0.862194D+00  0.262219D+00
      2   0.283921D+01  0.610494D+00 -0.862194D+00 -0.453245D+00  0.400718D+00
      3   0.610494D+00 -0.680308D+00  0.262219D+00  0.400718D+00 -0.268929D+00
               121           122           123           124           125 
      1  -0.144119D+01  0.486531D+00  0.119505D+00  0.758484D+00  0.230140D+00
      2   0.486531D+00 -0.492970D+01  0.160540D+01  0.230140D+00  0.271280D+01
      3   0.119505D+00  0.160540D+01 -0.146450D+01  0.232081D+00 -0.191889D+01
               126           127           128           129           130 
      1   0.232081D+00  0.647890D+01 -0.304432D+01 -0.225308D+01 -0.249115D+01
      2  -0.191889D+01 -0.304432D+01  0.259731D+01  0.132352D+01  0.255880D+01
      3   0.207766D+01 -0.225308D+01  0.132352D+01  0.170085D+01  0.126091D+01
               131           132           133           134           135 
      1   0.255880D+01  0.126091D+01 -0.361498D+01  0.252214D+01  0.256648D+01
      2  -0.326866D+01 -0.113012D+01  0.252214D+01 -0.193094D+01 -0.203992D+01
      3  -0.113012D+01 -0.116992D+01  0.256648D+01 -0.203992D+01 -0.258987D+01
               136           137           138           139           140 
      1   0.294595D+01  0.124455D+01 -0.706617D+00  0.227094D+01  0.121032D+01
      2   0.124455D+01  0.962570D+00 -0.526417D+00  0.121032D+01  0.285363D+01
      3  -0.706617D+00 -0.526417D+00  0.853167D+00 -0.794383D+00 -0.119963D+01
               141           142           143           144           145 
      1  -0.794383D+00 -0.150177D+01 -0.984604D+00  0.151600D+01  0.920122D+01
      2  -0.119963D+01 -0.984604D+00 -0.196804D+01  0.119397D+01 -0.111933D+01
      3   0.121785D+01  0.151600D+01  0.119397D+01 -0.208654D+01  0.298274D+01
               146           147           148           149           150 
      1  -0.111933D+01  0.298274D+01 -0.155302D+01  0.165993D+01 -0.618323D+00
      2   0.129123D+01 -0.546950D+00  0.165993D+01 -0.854160D+00  0.397739D+00
      3  -0.546950D+00  0.203732D+01 -0.618323D+00  0.397739D+00 -0.385383D+00
               151           152           153           154           155 
      1   0.528120D+01 -0.870569D+00  0.325842D+01  0.379070D+01  0.123565D+01
      2  -0.870569D+00  0.254035D+00 -0.381405D+00  0.123565D+01  0.226331D+01
      3   0.325842D+01 -0.381405D+00  0.258794D+01  0.151942D+01  0.566945D+00
               156           157           158           159           160 
      1   0.151942D+01  0.698277D+00  0.133861D+01  0.273351D+00  0.245761D+01
      2   0.566945D+00  0.133861D+01  0.170492D+01  0.388353D+00  0.692441D+00
      3   0.142023D+01  0.273351D+00  0.388353D+00  0.477392D+00  0.156957D+01
               161           162           163           164           165 
      1   0.692441D+00  0.156957D+01  0.280801D+00  0.146841D+01 -0.284300D+00
      2   0.100327D+01  0.114618D+01  0.146841D+01  0.190965D+00 -0.126161D+00
      3   0.114618D+01  0.209961D+01 -0.284300D+00 -0.126161D+00  0.167234D+00
               166           167           168           169           170 
      1   0.123604D+01  0.675811D+00 -0.189798D+00 -0.169321D+00 -0.533906D+00
      2   0.675811D+00  0.950302D+01 -0.309496D+01 -0.533906D+00 -0.535687D+01
      3  -0.189798D+00 -0.309496D+01  0.206284D+01  0.492842D+00  0.323572D+01
               171           172           173           174           175 
      1   0.492842D+00 -0.451233D+01  0.105102D+01 -0.164655D+01  0.307184D+00
      2   0.323572D+01  0.105102D+01 -0.183737D+01  0.259674D+00 -0.111700D+01
      3  -0.258478D+01 -0.164655D+01  0.259674D+00 -0.148610D+01 -0.258191D-01
               176           177           178           179           180 
      1  -0.111700D+01 -0.258191D-01 -0.269188D+01  0.289733D+00 -0.179503D+01
      2   0.716481D+00 -0.244910D+00  0.289733D+00 -0.688694D+00  0.725495D+00
      3  -0.244910D+00  0.118826D+00 -0.179503D+01  0.725495D+00 -0.208968D+01
               181           182           183           184           185 
      1  -0.149913D+01  0.189100D+01  0.542336D+00  0.178908D+01 -0.222124D+01
      2   0.189100D+01 -0.165517D+01 -0.788438D+00 -0.222124D+01  0.850693D+01
      3   0.542336D+00 -0.788438D+00 -0.683154D+00 -0.863922D+00  0.283185D+01
               186           187           188           189           190 
      1  -0.863922D+00  0.760215D+00 -0.174215D+01 -0.129883D+01 -0.413364D+01
      2   0.283185D+01 -0.174215D+01  0.476519D+01  0.300895D+01  0.769072D+00
      3   0.195176D+01 -0.129883D+01  0.300895D+01  0.258204D+01  0.101825D+01
               191           192           193           194           195 
      1   0.769072D+00  0.101825D+01  0.179886D+01 -0.112744D+01 -0.888731D+00
      2  -0.108430D+01 -0.583397D+00 -0.112744D+01  0.189980D+01  0.793683D+00
      3  -0.583397D+00 -0.112950D+01 -0.888731D+00  0.793683D+00  0.936690D+00
               196           197           198           199           200 
      1   0.194910D+01 -0.106503D+01 -0.180557D+01 -0.768995D+01 -0.240693D+01
      2  -0.106503D+01  0.139306D+01  0.726088D+00 -0.240693D+01 -0.182514D+01
      3  -0.180557D+01  0.726088D+00  0.207528D+01 -0.251945D+01 -0.109136D+01
               201           202           203           204           205 
      1  -0.251945D+01 -0.271306D+01 -0.228554D+01 -0.117757D+01 -0.454323D+01
      2  -0.109136D+01 -0.228554D+01 -0.223731D+01 -0.863223D+00 -0.199783D+01
      3  -0.186177D+01 -0.117757D+01 -0.863223D+00 -0.887822D+00 -0.305468D+01
               206           207           208           209           210 
      1  -0.199783D+01 -0.305468D+01  0.126467D+01 -0.854856D+00 -0.500528D+00
      2  -0.101999D+01 -0.118968D+01 -0.854856D+00  0.124670D+01  0.684060D+00
      3  -0.118968D+01 -0.259283D+01 -0.500528D+00  0.684060D+00  0.626036D+00
               211           212           213           214           215 
      1  -0.115662D+01  0.209942D+00  0.407129D+00 -0.101959D+01  0.686750D+00
      2   0.209942D+00 -0.477169D+01 -0.139896D+01  0.686750D+00 -0.248505D+01
      3   0.407129D+00 -0.139896D+01 -0.134741D+01  0.267021D+00 -0.191594D+01
               216           217           218           219           220 
      1   0.267021D+00 -0.423766D+01 -0.295975D+01  0.155407D+01 -0.242932D+01
      2  -0.191594D+01 -0.295975D+01 -0.306609D+01  0.144863D+01 -0.286972D+01
      3  -0.208696D+01  0.155407D+01  0.144863D+01 -0.134426D+01  0.137415D+01
               221           222           223           224           225 
      1  -0.286972D+01  0.137415D+01  0.230516D+01  0.265242D+01 -0.196044D+01
      2  -0.540861D+01  0.182750D+01  0.265242D+01  0.331083D+01 -0.263583D+01
      3   0.182750D+01 -0.155808D+01 -0.196044D+01 -0.263583D+01  0.260553D+01
               226           227           228           229           230 
      1   0.253761D+01 -0.446017D+00  0.336152D+00 -0.175191D+01  0.124222D+01
      2  -0.446017D+00  0.309008D+01 -0.199223D+01  0.124222D+01 -0.375772D+01
      3   0.336152D+00 -0.199223D+01  0.153969D+01 -0.973852D+00  0.142578D+01
               231           232           233           234           235 
      1  -0.973852D+00  0.318274D+00 -0.103743D+01  0.705883D+00 -0.132796D+01
      2   0.142578D+01 -0.103743D+01  0.709652D+00 -0.890281D+00 -0.258040D+00
      3  -0.133050D+01  0.705883D+00 -0.890281D+00  0.174395D+01  0.106766D+01
               236           237           238           239           240 
      1  -0.258040D+00  0.106766D+01  0.527338D+00  0.109635D+01 -0.834981D+00
      2  -0.284232D+00 -0.170428D+00  0.109635D+01  0.187519D+01 -0.208860D+00
      3  -0.170428D+00 -0.154902D+01 -0.834981D+00 -0.208860D+00  0.142677D+01
               241           242           243           244           245 
      1   0.128404D+01  0.241085D+00 -0.131665D+01 -0.213894D+01  0.138672D+01
      2   0.241085D+00  0.126255D+01 -0.282885D+00  0.138672D+01 -0.173271D+01
      3  -0.131665D+01 -0.282885D+00  0.565577D+01 -0.595712D+00  0.102916D+01
               246           247           248           249           250 
      1  -0.595712D+00  0.349826D+01 -0.880236D+00  0.206625D+01 -0.161521D+00
      2   0.102916D+01 -0.880236D+00  0.295484D+01 -0.119904D+01  0.101862D+01
      3  -0.877768D+00  0.206625D+01 -0.119904D+01  0.184619D+01 -0.673683D+00
               251           252           253           254           255 
      1   0.101862D+01 -0.673683D+00  0.212965D+01  0.454775D+00  0.380717D+00
      2  -0.105756D+01  0.907520D+00  0.454775D+00 -0.232823D+00  0.442747D+00
      3   0.907520D+00 -0.174444D+01  0.380717D+00  0.442747D+00  0.978857D+00
               256           257           258           259           260 
      1  -0.109783D+01 -0.635387D+00 -0.225757D+00 -0.138656D+01 -0.213425D+00
      2  -0.635387D+00 -0.109243D+01 -0.122859D+01 -0.213425D+00 -0.116493D+01
      3  -0.225757D+00 -0.122859D+01 -0.187222D+01 -0.624650D+00 -0.120206D+01
               261           262           263           264           265 
      1  -0.624650D+00 -0.523006D+01  0.396663D+00  0.248325D+01 -0.508774D+00
      2  -0.120206D+01  0.396663D+00 -0.200286D+01 -0.177627D+00  0.806067D-01
      3  -0.565259D+01  0.248325D+01 -0.177627D+00 -0.187855D+01  0.824366D+00
               266           267           268           269           270 
      1   0.806067D-01  0.824366D+00  0.162568D+01  0.452610D+00 -0.110265D+01
      2  -0.121845D+01 -0.615398D+00  0.452610D+00 -0.388711D+00 -0.133859D+00
      3  -0.615398D+00 -0.627793D+00 -0.110265D+01 -0.133859D+00  0.176043D+01
               271           272           273           274           275 
      1   0.671189D+00 -0.830782D+00  0.537362D+00 -0.167242D-01  0.842886D+00
      2  -0.830782D+00  0.222985D+01  0.114045D+01  0.842886D+00  0.206796D+00
      3   0.537362D+00  0.114045D+01  0.201274D+01  0.476905D+00  0.305652D+00
               276           277           278           279           280 
      1   0.476905D+00  0.106037D+01 -0.114253D+00  0.410366D+00  0.495626D+01
      2   0.305652D+00 -0.114253D+00  0.149290D+01  0.128264D+01  0.965903D+00
      3   0.641261D+00  0.410366D+00  0.128264D+01  0.565260D+01 -0.237461D+01
               281           282           283           284           285 
      1   0.965903D+00 -0.237461D+01  0.666233D+00  0.437547D+00  0.274587D-02
      2   0.272303D+01 -0.104667D+01  0.437547D+00 -0.618093D+00  0.610198D+00
      3  -0.104667D+01  0.204178D+01  0.274587D-02  0.610198D+00 -0.167272D+00
               286           287           288           289           290 
      1  -0.169565D+01 -0.118378D+00  0.111180D+01 -0.432720D+00 -0.137740D+00
      2  -0.118378D+00  0.517315D+00  0.120511D+00 -0.137740D+00 -0.238982D+01
      3   0.111180D+01  0.120511D+00 -0.172788D+01 -0.912466D+00  0.977634D+00
               291           292           293           294           295 
      1  -0.912466D+00  0.303664D+00 -0.855059D+00  0.314193D+00 -0.104385D+01
      2   0.977634D+00 -0.855059D+00 -0.857126D+00  0.806199D-01  0.138086D-01
      3  -0.211056D+01  0.314193D+00  0.806199D-01  0.102409D+00 -0.727063D+00
               296           297           298           299           300 
      1   0.138086D-01 -0.727063D+00  0.561413D+00  0.109415D+01 -0.152287D+00
      2  -0.151636D+01  0.113630D+01  0.109415D+01  0.139983D+01  0.723684D+00
      3   0.113630D+01 -0.564497D+01 -0.152287D+00  0.723684D+00  0.365895D+00
               301           302           303           304           305 
      1   0.342665D+01  0.101819D+01  0.179703D+01 -0.317059D+00  0.718266D+00
      2   0.101819D+01  0.421760D+01  0.182029D+01  0.718266D+00  0.143689D+01
      3   0.179703D+01  0.182029D+01  0.205870D+01  0.393049D+00  0.108084D+01
               306           307           308           309           310 
      1   0.393049D+00 -0.178770D+01 -0.325089D+00 -0.342723D+00 -0.192474D+01
      2   0.108084D+01 -0.325089D+00  0.500757D+00  0.317988D-01  0.486333D+00
      3   0.172889D+01 -0.342723D+00  0.317988D-01 -0.469143D+00 -0.638849D+00
               311           312           313           314           315 
      1   0.486333D+00 -0.638849D+00  0.147776D+01 -0.131726D+00  0.904306D+00
      2  -0.682992D+00  0.118470D+01 -0.131726D+00  0.107790D+01 -0.100348D+01
      3   0.118470D+01 -0.206823D+01  0.904306D+00 -0.100348D+01  0.564701D+01
               316           317           318           319           320 
      1  -0.186890D+01  0.354265D-01  0.333914D+00 -0.180485D+01 -0.594274D+00
      2   0.354265D-01 -0.200156D+01 -0.154401D+01 -0.594274D+00 -0.489231D+01
      3   0.333914D+00 -0.154401D+01 -0.116020D+01 -0.501300D+00 -0.208335D+01
               321           322           323           324           325 
      1  -0.501300D+00  0.842751D-01 -0.885891D+00 -0.458467D+00  0.104493D+01
      2  -0.208335D+01 -0.885891D+00 -0.125887D+01 -0.103970D+01  0.344901D+00
      3  -0.168014D+01 -0.458467D+00 -0.103970D+01 -0.175173D+01 -0.740368D+00
               326           327           328           329           330 
      1   0.344901D+00 -0.740368D+00  0.146044D+01 -0.124950D+01 -0.108377D+01
      2  -0.102606D+00 -0.421000D+00 -0.124950D+01  0.126106D+01 -0.116583D+00
      3  -0.421000D+00  0.114733D+01 -0.108377D+01 -0.116583D+00  0.177505D+01
               331           332           333 
      1  -0.141421D+01  0.200849D+00  0.135188D+01
      2   0.200849D+00 -0.115401D+01  0.621568D-01
      3   0.135188D+01  0.621568D-01 -0.565230D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.524661D+01 -0.641222D+01 -0.414124D+01 -0.765040D+01  0.299708D+01
      2   0.619402D+01  0.547363D+01  0.623774D+01  0.566539D+01 -0.388490D+01
      3   0.371380D+01 -0.570501D+01  0.147975D+01 -0.515744D+00  0.291291D+01
                 6             7             8             9            10 
      1   0.165672D+01 -0.524749D+01  0.268969D+01  0.102119D+01 -0.558786D+00
      2  -0.170221D+01  0.295745D+01  0.184944D+00 -0.106502D+01 -0.109680D+01
      3   0.947343D+01 -0.357468D+00  0.135687D+02  0.519874D+01 -0.131455D+01
                11            12            13            14            15 
      1   0.492773D+01 -0.179894D+00  0.500127D+01  0.234595D+01 -0.510053D+01
      2  -0.103824D+02 -0.351786D+00 -0.917190D+01 -0.182708D+01  0.600985D+01
      3  -0.488047D+00  0.942151D+01  0.524071D+01 -0.529648D+01 -0.982080D+00
                16            17            18            19            20 
      1  -0.118639D+01 -0.121570D+01 -0.775571D+00  0.337124D+01 -0.979182D+01
      2  -0.104887D+01  0.631610D+01  0.132790D+01  0.198695D+02  0.479452D+01
      3   0.130265D+02 -0.388160D+01 -0.523695D+01 -0.104497D+02  0.777400D+01
                21            22            23            24            25 
      1   0.552717D+01 -0.182691D+02 -0.122094D+01 -0.102837D+02  0.431301D+01
      2   0.414580D+00 -0.188934D+01  0.108930D+01 -0.843324D+01 -0.276162D+02
      3  -0.788263D+01  0.303163D+02  0.532569D+01  0.117289D+02 -0.215637D+01
                26            27            28            29            30 
      1   0.474314D+00 -0.399808D-01 -0.637475D-01  0.667022D+00 -0.627244D-01
      2  -0.105548D+02 -0.191035D+02  0.434369D+00 -0.758835D-01 -0.291028D+01
      3   0.605738D+01  0.315273D+01 -0.257673D+00  0.780502D+01  0.126104D+00
                31            32            33            34            35 
      1   0.591580D+00 -0.480686D-01  0.318245D+01 -0.186123D+00 -0.129416D+02
      2  -0.106835D-01 -0.719641D+00 -0.298802D+00  0.131819D+02 -0.371675D+00
      3  -0.836916D+01  0.379753D+00  0.850530D-01  0.977753D-01 -0.149907D+00
                36            37            38            39            40 
      1  -0.312083D+00  0.938971D+00 -0.148924D+01  0.998412D+01  0.694226D+01
      2   0.207514D+00 -0.840179D+01 -0.151649D+02  0.595005D+01 -0.843951D+01
      3   0.198543D+00 -0.136263D+02 -0.234954D+02  0.910921D+01 -0.789249D+00
                41            42            43            44            45 
      1   0.193950D+02 -0.464679D+01  0.164761D+02  0.220237D+02 -0.183134D+02
      2   0.564032D+01 -0.718612D+01 -0.660464D+01 -0.104523D+02  0.499173D+01
      3   0.194269D+02 -0.108451D+02  0.462371D+01 -0.396945D+01 -0.294501D+01
                46            47            48            49            50 
      1  -0.128341D+01 -0.861076D+01 -0.220904D+01 -0.185321D+02 -0.625981D+01
      2   0.189906D+02 -0.223585D+01 -0.257932D+01  0.182757D+01  0.173009D+00
      3   0.285276D+00  0.900639D+01  0.469648D+01  0.314647D+02  0.519525D+01
                51            52            53            54            55 
      1  -0.129098D+02  0.316340D+01 -0.118049D+01  0.491074D+01 -0.360807D+00
      2   0.522037D+01 -0.297738D+02  0.309035D+01 -0.184356D+02 -0.592257D+01
      3   0.130668D+02  0.841766D+00  0.604775D+01 -0.310148D+01  0.506277D+00
                56            57            58            59            60 
      1   0.240094D+01  0.110652D+01  0.283753D+01 -0.443836D+00 -0.318910D+01
      2   0.102048D+02  0.132204D+01  0.899982D+01  0.318354D+01 -0.692682D+01
      3  -0.135938D+01 -0.891947D+01  0.386665D+01  0.620183D+01 -0.353382D+01
                61            62            63            64            65 
      1   0.129529D+01  0.859576D+00  0.469836D+00  0.585263D+01 -0.279101D+01
      2   0.102117D+01 -0.627468D+01  0.155802D+01  0.101623D+02 -0.302578D+01
      3  -0.115811D+02 -0.724603D+01  0.511434D+01 -0.203916D+01 -0.592186D+01
                66            67            68            69            70 
      1   0.206748D+01 -0.393341D+01 -0.417516D+01  0.172158D+01  0.349830D+01
      2   0.635340D+01 -0.369447D+01 -0.725044D+01  0.375340D+01  0.388907D+01
      3  -0.395935D+01 -0.288381D+00 -0.442134D+01  0.881014D+01 -0.321047D+01
                71            72            73            74            75 
      1   0.360498D+01 -0.761070D+00 -0.122301D+00  0.136151D+00 -0.923212D+01
      2   0.144986D+01 -0.140717D+01 -0.141166D+02  0.107100D+02  0.169520D+01
      3   0.132740D+02 -0.507379D+01  0.177972D+02 -0.138620D+02 -0.611929D+01
                76            77            78            79            80 
      1   0.101505D+02 -0.190612D+02 -0.896545D+01 -0.184624D+02  0.142733D+02
      2   0.654521D+01  0.572114D+01  0.634238D+01 -0.138066D+02  0.124499D+02
      3   0.880180D+01 -0.230834D+02 -0.127422D+02 -0.391698D+01 -0.508755D+01
                81            82            83            84            85 
      1   0.164427D+02 -0.211377D+01  0.229659D+01 -0.578004D+00  0.912438D+00
      2   0.948699D+01 -0.126331D+02 -0.167110D+02  0.137410D+02 -0.621019D+01
      3   0.302321D+01 -0.151647D+02 -0.275807D+02  0.139478D+02 -0.530064D+01
                86            87            88            89            90 
      1   0.186156D+02  0.333082D+01  0.502148D+01  0.274207D+02 -0.163721D+02
      2   0.148268D+00 -0.211752D+01 -0.770250D+00 -0.108431D+02  0.944260D+01
      3   0.938332D+01  0.120333D+01  0.629158D+01 -0.519504D+00  0.290587D+01
                91            92            93            94            95 
      1   0.736180D+01  0.583895D+01  0.682101D+01  0.709224D+01 -0.108495D+02
      2  -0.105841D+01  0.970401D+00  0.101002D+01  0.283835D+00  0.105981D+01
      3  -0.640619D+01 -0.213198D+01 -0.569910D+01  0.308193D+01  0.171453D+00
                96            97            98            99           100 
      1  -0.344083D+01  0.534443D+01 -0.281668D+01  0.155832D+01 -0.883361D+01
      2  -0.102395D+01 -0.261154D+01 -0.282577D+00  0.276193D-01 -0.301102D+01
      3  -0.793144D+01 -0.974994D+01 -0.929005D+01 -0.520114D+01  0.579250D+01
               101           102           103           104           105 
      1   0.965830D+00 -0.569910D+01  0.185184D+01  0.118687D+02 -0.534258D+01
      2  -0.123769D+01 -0.756170D+00 -0.247686D+00  0.370582D+01 -0.116964D+00
      3  -0.808206D+00  0.745952D+01  0.466242D+01  0.680146D+00 -0.601197D+01
               106           107           108           109           110 
      1  -0.368446D+01 -0.384251D+01 -0.152288D+01  0.439723D+01  0.385068D+01
      2  -0.368366D+01 -0.142087D+01 -0.365727D+00 -0.168223D+02  0.136134D+02
      3   0.118215D+02 -0.655684D+01  0.524092D+01  0.214997D+02 -0.195998D+02
               111           112           113           114           115 
      1  -0.355688D+01  0.525340D+01 -0.169390D+02  0.196205D+01 -0.104199D+02
      2   0.123484D+02  0.274431D+01  0.913234D+00  0.651331D+01 -0.661167D+01
      3  -0.139713D+02  0.315592D+01 -0.161412D+02 -0.257082D+01 -0.573255D+01
               116           117           118           119           120 
      1   0.221038D+02  0.136225D+02  0.813674D+00  0.122113D+01 -0.144784D+01
      2   0.166403D+02  0.135359D+02  0.827024D+00  0.134384D+01 -0.516134D+00
      3  -0.231715D+01 -0.309401D+01  0.600321D+01  0.317488D+01 -0.216215D+01
               121           122           123           124           125 
      1   0.531292D+00  0.466024D+01 -0.511935D+01  0.145284D+00 -0.371726D+01
      2   0.809709D+00  0.514149D+01 -0.383954D+01 -0.166954D+01 -0.498995D+01
      3   0.390717D+01  0.127628D+02 -0.527354D+01 -0.371390D+01 -0.864459D+01
               126           127           128           129           130 
      1   0.605509D+01 -0.249677D+01  0.139922D+01  0.338613D+01  0.916750D+00
      2   0.660595D+01 -0.208003D+01  0.248869D+01  0.519979D+01  0.131772D+01
      3   0.489341D+01 -0.499411D+01 -0.246846D+01  0.450048D+00 -0.744950D+00
               131           132           133           134           135 
      1  -0.344442D+00 -0.266385D+01  0.196662D+01 -0.400335D+00 -0.410184D+01
      2  -0.140191D+01 -0.338244D+01  0.473718D+00 -0.192253D+01 -0.586759D+01
      3   0.419479D+01  0.885975D+00  0.365003D+01 -0.371291D+00  0.213598D+00
               136           137           138           139           140 
      1   0.238264D-01 -0.263501D+00 -0.158897D+00 -0.181029D+00 -0.311462D+00
      2  -0.265402D+01 -0.249211D+01  0.352289D+01 -0.336309D+01 -0.540276D+01
      3  -0.570494D+01 -0.388161D+01  0.216831D+01 -0.317048D+01 -0.128456D+02
               141           142           143           144           145 
      1  -0.107391D+01 -0.222419D+00  0.155407D+01 -0.426846D+00  0.778513D+00
      2   0.544278D+01  0.365583D+01  0.509759D+01 -0.899554D+01  0.433148D+01
      3   0.530856D+01  0.357895D+01  0.876024D+01 -0.492973D+01 -0.130385D+01
               146           147           148           149           150 
      1   0.762001D+00  0.129820D+01  0.237981D+00 -0.316687D+00 -0.564853D+00
      2  -0.462573D+00  0.734071D+01 -0.170576D+01  0.501466D-01 -0.127869D+01
      3  -0.544902D+01 -0.293419D+00 -0.374921D+01  0.208944D+01 -0.905250D+00
               151           152           153           154           155 
      1   0.137386D-01  0.150435D+01  0.127480D+01 -0.673066D+01 -0.207339D+01
      2   0.245840D+01 -0.533215D-01  0.703135D+01  0.135546D+01  0.568284D+00
      3   0.290210D+01 -0.230040D+01 -0.224709D+00  0.143686D+02  0.580973D+00
               156           157           158           159           160 
      1  -0.578335D+01 -0.112560D+01 -0.109412D+01 -0.184844D+01 -0.618835D+01
      2   0.267925D+01  0.236610D+00  0.363412D+00  0.393010D+00  0.150238D+00
      3   0.580797D+01  0.118283D+01  0.444119D+01  0.581746D+00  0.955914D+01
               161           162           163           164           165 
      1  -0.195896D+01 -0.884387D+01 -0.147701D+00 -0.291201D+00 -0.647975D+00
      2   0.120675D+01  0.194534D+01  0.631309D-01  0.531859D+00  0.375003D+00
      3   0.108040D+01  0.502176D+01  0.531141D+00  0.382308D+01 -0.960586D+00
               166           167           168           169           170 
      1   0.987741D+00  0.460064D+01 -0.751397D+01 -0.986159D+00 -0.216114D+01
      2   0.717047D+00 -0.782666D+00  0.603219D+00 -0.126124D+01  0.979503D+00
      3   0.564351D+01 -0.130548D+01 -0.279633D-01 -0.149945D+01  0.333395D+01
               171           172           173           174           175 
      1   0.712111D+01  0.649540D+01 -0.675433D+00  0.510718D+01  0.219416D+00
      2  -0.617572D+00  0.325659D+01 -0.449438D+00  0.412334D+01  0.101782D+00
      3   0.262137D+00 -0.140872D+02 -0.155072D+01 -0.565481D+01 -0.104921D+01
               176           177           178           179           180 
      1   0.151339D+00 -0.462677D+00  0.605631D+01 -0.244152D+00  0.801375D+01
      2   0.432829D+00  0.205816D+00  0.205644D+01 -0.118495D+01  0.412690D+01
      3  -0.372456D+01 -0.767492D+00 -0.934837D+01 -0.100531D+01 -0.492731D+01
               181           182           183           184           185 
      1  -0.372601D+00  0.832007D+00  0.230094D+01  0.216970D+01 -0.366083D+01
      2   0.243725D+00 -0.586021D-01  0.114169D+01  0.120487D+00 -0.203018D+01
      3  -0.272285D+01  0.289145D+01  0.957064D+00  0.461948D+01  0.351888D+01
               186           187           188           189           190 
      1  -0.675016D+01  0.168019D+01 -0.148771D+01 -0.671211D+01  0.973805D+00
      2  -0.227080D+01 -0.551555D+00 -0.170227D+01 -0.240390D+01 -0.370054D+01
      3   0.183361D+00  0.562467D+00  0.362264D+01 -0.238598D+00  0.732990D+01
               191           192           193           194           195 
      1  -0.116194D+01 -0.831282D+00 -0.141609D+01  0.923350D+00  0.750298D-01
      2   0.292372D+01  0.476663D+01  0.400879D+01 -0.317131D+01 -0.429474D+01
      3  -0.549907D+01 -0.355662D+01 -0.509459D+01  0.998075D+01  0.434934D+01
               196           197           198           199           200 
      1  -0.157560D+01  0.239379D+01  0.264560D+01 -0.182137D+01  0.586849D-01
      2   0.493823D+01 -0.313181D+01 -0.850483D+01  0.317630D+01  0.140349D+01
      3  -0.616440D+01  0.726797D+01  0.473425D+01  0.332816D+01 -0.397441D+01
               201           202           203           204           205 
      1  -0.278852D+01 -0.784306D+00  0.193408D+00 -0.160416D+01 -0.975467D+00
      2   0.623933D+01  0.253718D+01  0.106230D+01  0.275063D+01  0.213895D+01
      3   0.558881D+00 -0.225994D+01 -0.405934D+01 -0.868442D+00 -0.219022D+01
               206           207           208           209           210 
      1   0.128396D+01 -0.304836D+01 -0.188352D+01  0.257145D+01  0.295943D+01
      2   0.952274D+00  0.651159D+01  0.117670D+01 -0.172502D+01 -0.753353D+00
      3  -0.303252D+01  0.276240D+00 -0.806450D+01  0.448890D+01  0.351016D+01
               211           212           213           214           215 
      1   0.176955D+01 -0.495117D+01 -0.533184D+01  0.149918D+01 -0.465033D+01
      2  -0.135466D+01  0.315666D+01  0.230081D+01 -0.259251D+01  0.335165D+01
      3   0.518019D+01 -0.104605D+02 -0.451983D+01  0.588231D+01 -0.746058D+01
               216           217           218           219           220 
      1  -0.756225D+01  0.208889D+01  0.241202D+01 -0.352641D+01  0.158745D+01
      2   0.487003D+01 -0.693398D+00 -0.197742D+01  0.333865D+01 -0.883195D+00
      3  -0.490444D+01  0.515888D+01 -0.627979D-01 -0.655107D+00  0.169837D+01
               221           222           223           224           225 
      1   0.160629D+01 -0.448960D+01 -0.165995D+01 -0.134878D+01  0.552537D+01
      2  -0.200876D+01  0.355820D+01 -0.572297D+00  0.165975D+01 -0.470328D+01
      3  -0.439604D+01  0.709282D+00 -0.349957D+01 -0.137890D+01 -0.262424D+00
               226           227           228           229           230 
      1   0.518982D+00  0.457416D+01  0.859703D-01  0.938950D+00 -0.167618D+01
      2  -0.638145D+01  0.513378D+01 -0.269376D+01  0.385062D+01 -0.374073D+01
      3  -0.801542D+01  0.716439D+01 -0.436722D+01  0.585319D+01 -0.548000D+01
               231           232           233           234           235 
      1  -0.117144D+01  0.127644D+01 -0.647538D+00  0.125319D+01  0.215353D+01
      2   0.279014D+01 -0.235403D+01  0.145739D+01 -0.242873D+01  0.699128D+00
      3   0.301839D+01 -0.934082D+00  0.141291D+01 -0.290946D+01  0.172836D+01
               236           237           238           239           240 
      1  -0.125316D+01 -0.360252D+01 -0.234647D+01 -0.143841D+01  0.545320D+01
      2   0.241513D+00  0.466327D+00 -0.154830D+01 -0.150348D+01 -0.108378D+00
      3  -0.124521D+01 -0.209074D+01 -0.207634D+01 -0.267405D+01  0.258743D+01
               241           242           243           244           245 
      1  -0.281567D+01  0.119179D+01  0.117966D+02 -0.163341D+01  0.285563D+01
      2  -0.177490D+01 -0.154023D+00 -0.273933D+01  0.316184D+00  0.451671D+00
      3  -0.243551D+01 -0.229173D+00  0.259305D+01  0.235231D+01 -0.440752D+01
               246           247           248           249           250 
      1  -0.158492D+01  0.485863D+01 -0.750698D+01  0.316322D+01 -0.750714D+00
      2   0.159837D+01  0.356622D+01  0.144129D+01 -0.127393D+01  0.440546D+00
      3   0.171877D+01 -0.553453D+01  0.984814D+01 -0.510306D+01  0.121948D+01
               251           252           253           254           255 
      1   0.262205D+01 -0.201570D+01 -0.217635D+01 -0.119115D+01 -0.116695D+01
      2  -0.199084D+01  0.182602D+01 -0.160236D+01 -0.937310D+00 -0.418547D+01
      3  -0.183470D+01  0.290402D+01  0.321405D+01  0.751789D+00  0.196120D+01
               256           257           258           259           260 
      1   0.872755D+00  0.158500D+01  0.814522D+00  0.495334D+00  0.242634D+01
      2  -0.330301D+00  0.243855D+01  0.485269D+01 -0.515885D+00  0.248235D+01
      3  -0.129453D+00 -0.221566D+01 -0.269125D+01 -0.899524D+00 -0.229136D+01
               261           262           263           264           265 
      1   0.498335D+00 -0.506925D+01 -0.276700D+01  0.388716D+01 -0.196306D+01
      2   0.120912D+02  0.659996D+01 -0.454331D+00 -0.123048D+01  0.329420D+01
      3  -0.260419D+01 -0.108819D+02 -0.286913D+01  0.510549D+01 -0.403073D+01
               266           267           268           269           270 
      1  -0.247611D+01  0.641030D+00  0.292778D+01  0.170883D+01 -0.267050D+01
      2  -0.171930D+01 -0.115152D+01 -0.533549D+00 -0.273715D+00  0.341194D-01
      3  -0.961557D+00  0.252337D+01  0.223279D+01  0.526784D+00 -0.278322D+01
               271           272           273           274           275 
      1  -0.856934D+00  0.409277D+00 -0.354731D+01 -0.608182D+00 -0.212606D+00
      2  -0.687479D+00 -0.371640D+01 -0.550364D+01 -0.179422D+01  0.478082D+00
      3  -0.153604D+00  0.317251D+01  0.331539D+01  0.230176D+01 -0.853533D+00
               276           277           278           279           280 
      1  -0.559319D+00 -0.553896D+00  0.472956D+00 -0.826342D+01  0.426479D+01
      2  -0.161763D+00 -0.248139D+01 -0.241187D+01 -0.885306D+01  0.865481D+01
      3   0.497958D+00  0.101986D+01  0.222996D+01  0.258788D+01  0.126727D+02
               281           282           283           284           285 
      1  -0.251446D+01 -0.339509D+01 -0.772250D+00  0.194806D+01 -0.581101D+00
      2   0.167502D+01 -0.204797D+01 -0.151117D+01 -0.129836D+01  0.534444D+00
      3  -0.548573D+00 -0.518412D+01 -0.147507D+01  0.101827D+00  0.100218D+01
               286           287           288           289           290 
      1  -0.299048D+01  0.834155D+00  0.257487D+01  0.129954D+01 -0.250391D+00
      2  -0.129947D+01  0.291869D+00  0.807384D+00 -0.156420D+01  0.310871D+01
      3  -0.213653D+01 -0.150758D+00  0.287699D+01 -0.104191D+01  0.264985D+01
               291           292           293           294           295 
      1   0.481063D+01 -0.771730D+00 -0.341112D+00  0.686692D+00  0.114893D+01
      2  -0.423844D+01  0.108590D+01  0.179635D+01 -0.109329D+01 -0.282522D+01
      3  -0.328987D+01  0.180837D+01  0.215041D+01 -0.331702D+00 -0.156300D+01
               296           297           298           299           300 
      1   0.150112D+00  0.102070D+02 -0.156673D-01  0.684901D+00  0.535270D+00
      2   0.181860D+01 -0.645938D+01  0.136446D+01 -0.217519D+00  0.136242D+01
      3   0.194331D+01 -0.260160D+01 -0.754774D+00 -0.145657D+01 -0.589480D+00
               301           302           303           304           305 
      1   0.309221D+01  0.957638D+01  0.257790D+01  0.241261D+00  0.187313D+01
      2  -0.272738D+01  0.270362D+01  0.248248D+01 -0.807919D-01  0.267160D+01
      3  -0.203721D+01 -0.132534D+02 -0.480389D+01 -0.935610D+00 -0.170216D+01
               306           307           308           309           310 
      1   0.159002D+01  0.239285D+01 -0.172620D+00  0.162856D+01  0.193127D+01
      2   0.227618D+01 -0.110660D+01 -0.182503D+00 -0.248416D+01 -0.269404D+00
      3  -0.306840D+01 -0.304615D+01 -0.658244D+00 -0.123514D+01 -0.149157D+01
               311           312           313           314           315 
      1  -0.203089D+01  0.252830D+01 -0.107216D+01  0.280383D+01 -0.352197D+01
      2   0.209505D+01 -0.533410D+01 -0.207216D+00 -0.190421D+01  0.115493D+02
      3   0.207492D+01 -0.313074D+01  0.139825D+01 -0.201538D+01  0.259787D+01
               316           317           318           319           320 
      1  -0.907649D+00  0.469316D+01  0.705470D+00  0.101847D+01  0.429527D+01
      2  -0.414045D+01 -0.381697D+01 -0.177134D+01 -0.371622D+01 -0.512321D+01
      3   0.434511D+01  0.651113D+01  0.342043D+01  0.555277D+01  0.871460D+01
               321           322           323           324           325 
      1  -0.279970D+00 -0.400731D+00 -0.252626D+00 -0.612955D+00 -0.103076D+01
      2  -0.355571D+01 -0.234341D+01 -0.234946D+01 -0.267056D+01 -0.396154D-01
      3   0.399203D+01  0.872070D+00  0.189567D+01  0.291389D+01 -0.587021D+00
               326           327           328           329           330 
      1  -0.184822D+01  0.192885D+01 -0.341463D+01  0.593653D+00  0.592873D+01
      2  -0.311146D+00  0.966724D+00  0.115507D+01 -0.929474D+00  0.179701D+01
      3  -0.206278D+01  0.137462D+01 -0.290268D+01  0.161143D+01  0.303666D+01
               331           332           333 
      1   0.280473D+01  0.188846D+01 -0.107022D+02
      2  -0.110067D+01  0.173856D+00 -0.563639D+01
      3   0.244484D+01  0.413533D+00 -0.260300D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.339237D+01 -0.236396D+01 -0.447380D+00 -0.331664D+00  0.411460D+01
      2  -0.336596D+01 -0.106713D+01  0.132204D+02  0.242398D+00 -0.100299D+02
      3  -0.264101D-01  0.343109D+01 -0.127730D+02  0.892668D-01  0.591533D+01
      4  -0.613693D+01 -0.135439D+02  0.178780D+02 -0.813665D+01 -0.131000D+02
      5   0.674020D+01  0.138863D+02 -0.342149D+01  0.138086D+02  0.540339D+01
      6   0.942828D+01  0.173113D+02 -0.756824D+00  0.166607D+02  0.660931D+00
                 6             7             8             9            10 
      1   0.152612D+02 -0.382532D+01  0.161017D+02  0.702614D+01 -0.179571D+02
      2  -0.930522D+01  0.155488D+02 -0.101788D+02 -0.108990D+02  0.116585D+02
      3  -0.595601D+01 -0.117235D+02 -0.592291D+01  0.387291D+01  0.629857D+01
      4   0.143698D+02  0.213288D+02  0.200669D+02 -0.804580D+01 -0.121567D+02
      5  -0.813102D+01 -0.325021D+01 -0.101177D+02  0.197379D+01 -0.128150D+02
      6  -0.958516D+01 -0.253380D+01 -0.144434D+02  0.142580D+01 -0.942763D+01
                11            12            13            14            15 
      1  -0.870392D+00 -0.536257D+01 -0.470670D+01 -0.382344D+01 -0.206047D+02
      2   0.265092D+01 -0.370102D+01  0.305738D+01  0.438024D+01  0.988569D+01
      3  -0.178053D+01  0.906359D+01  0.164932D+01 -0.556802D+00  0.107190D+02
      4  -0.438174D+01 -0.209346D+02 -0.956448D+01  0.112019D+01 -0.652072D+01
      5  -0.189310D+02 -0.112104D+02 -0.196853D+02 -0.398706D-01  0.148625D+01
      6  -0.742154D+01 -0.592255D+01 -0.725330D+01  0.451575D+00 -0.158213D+01
                16            17            18            19            20 
      1  -0.816035D+01 -0.236190D+02 -0.136726D+02  0.646496D+01  0.179529D+01
      2  -0.470860D+00  0.139496D+02  0.985708D+01 -0.455335D+01 -0.610141D+01
      3   0.863121D+01  0.966949D+01  0.381553D+01 -0.191162D+01  0.430613D+01
      4  -0.264119D+02 -0.646635D+01 -0.220862D+01  0.146913D+02 -0.723100D+00
      5  -0.167172D+02  0.131479D+01 -0.172040D+01  0.873150D+01  0.110717D+02
      6  -0.627470D+01 -0.714736D+00 -0.143603D+01  0.349954D+01 -0.610069D+00
                21            22            23            24            25 
      1   0.276570D+01  0.403029D+01 -0.342226D+01  0.115210D+02 -0.683531D+00
      2  -0.159714D+01 -0.527189D+01  0.312313D+01 -0.165294D+01 -0.603215D+00
      3  -0.116856D+01  0.124161D+01  0.299129D+00 -0.986803D+01  0.128675D+01
      4   0.127343D+02  0.340546D+01  0.669635D+01  0.101875D+01  0.655382D+01
      5   0.555606D+01  0.103891D+02 -0.412881D+01  0.115025D+01  0.324773D+01
      6   0.407680D+01 -0.163000D+01  0.145814D+01 -0.254608D+01  0.261053D+01
                26            27            28            29            30 
      1   0.101531D+02  0.657908D+01 -0.116899D+02  0.195899D+00  0.504294D+01
      2  -0.246910D+01  0.752349D+00  0.174214D+01 -0.849476D-01 -0.500836D+01
      3  -0.768396D+01 -0.733143D+01  0.994775D+01 -0.110951D+00 -0.345851D-01
      4  -0.164105D+00 -0.496256D+00  0.245465D+00 -0.650350D+01  0.217960D+01
      5  -0.832880D+00 -0.333511D+01  0.293044D+01  0.130965D+01 -0.190717D+01
      6  -0.178985D+01 -0.549565D+01  0.114343D+01 -0.289855D+01 -0.462476D-01
                31            32            33            34            35 
      1  -0.340507D+00  0.189094D+01  0.190523D+01  0.738028D+01  0.308123D+01
      2   0.281447D+00 -0.119823D+02 -0.188698D+01 -0.737050D+01 -0.310100D+01
      3   0.590601D-01  0.100914D+02 -0.182529D-01 -0.977910D-02  0.197653D-01
      4  -0.674924D+01 -0.835669D-01 -0.508800D+01  0.320606D+01 -0.737816D+01
      5   0.102955D+01 -0.291166D+01 -0.453999D-01  0.486067D+01 -0.302497D-01
      6  -0.297707D+01 -0.102791D+01 -0.196433D+01 -0.400467D-01  0.487786D+01
                36            37            38            39            40 
      1   0.370252D+00  0.364435D+01 -0.289019D+01 -0.110241D+01 -0.591862D+01
      2   0.384314D+00 -0.520375D+01  0.260197D+01 -0.873868D+01  0.264873D+01
      3  -0.754566D+00  0.155940D+01  0.288223D+00  0.984109D+01  0.326990D+01
      4   0.122323D-01  0.681538D+01  0.772066D+01 -0.735006D+01  0.394083D+01
      5   0.147520D-01 -0.158066D+01 -0.233294D+01 -0.635137D+00 -0.345261D+01
      6   0.499946D-01 -0.191720D+01 -0.120584D+02  0.290007D+01 -0.124023D+02
                41            42            43            44            45 
      1   0.619717D+01 -0.507658D+01  0.889608D+00 -0.311825D+01  0.920271D+00
      2  -0.292157D+01  0.653778D+01 -0.801022D+01  0.626429D+01  0.648261D+01
      3  -0.327560D+01 -0.146120D+01  0.712061D+01 -0.314604D+01 -0.740288D+01
      4   0.132487D+02 -0.105821D+02 -0.497828D+01 -0.486084D+01  0.125398D+01
      5  -0.446922D+01  0.578877D+01 -0.896587D+00  0.382651D+01  0.613822D+01
      6  -0.124497D+01  0.368010D+01  0.474218D+00  0.262554D+01  0.165872D+01
                46            47            48            49            50 
      1   0.141053D+02  0.248239D+01  0.114911D+02 -0.165484D+01 -0.711640D-01
      2  -0.136443D+02  0.199575D+01 -0.786278D+01  0.313372D+01  0.118665D+01
      3  -0.460969D+00 -0.447814D+01 -0.362828D+01 -0.147888D+01 -0.111549D+01
      4  -0.964773D+01 -0.317140D+01 -0.912985D+01  0.302961D-01 -0.803547D+01
      5   0.137353D+02 -0.609870D+01  0.649367D+01 -0.515783D+01 -0.760735D+01
      6   0.659212D+00 -0.268395D+01 -0.174487D+01 -0.348283D+01 -0.415992D+01
                51            52            53            54            55 
      1  -0.867742D+01  0.532838D+01 -0.854396D+01  0.619157D+01 -0.240981D+02
      2  -0.546318D+00 -0.453828D+01  0.829668D+00  0.108777D+01  0.179808D+02
      3   0.922373D+01 -0.790099D+00  0.771429D+01 -0.727934D+01  0.611729D+01
      4  -0.485557D+01 -0.490341D+01 -0.455785D+01  0.178277D+01  0.538839D+01
      5   0.117504D+01  0.369384D+01  0.208095D+01 -0.440381D+01 -0.239871D+02
      6  -0.338064D+01 -0.119666D+01 -0.197380D+01  0.450885D+01  0.655713D+01
                56            57            58            59            60 
      1  -0.290581D+01 -0.206079D+02  0.353374D+01 -0.111170D+01  0.170787D+02
      2  -0.458601D+00  0.913523D+01 -0.348099D+01  0.113181D+01 -0.907606D+01
      3   0.336441D+01  0.114727D+02 -0.527561D-01 -0.201137D-01 -0.800264D+01
      4  -0.141884D+01  0.168702D+02 -0.440949D+01 -0.484282D+01  0.638646D+01
      5   0.140105D+02 -0.120641D+02  0.144980D+02  0.935089D+01 -0.409314D+01
      6  -0.453458D+00  0.324932D+01 -0.223831D+00 -0.108829D+01 -0.112476D+01
                61            62            63            64            65 
      1  -0.259635D+02  0.182781D+02 -0.132011D+02 -0.328167D+01  0.916845D+01
      2   0.152437D+02 -0.111765D+02  0.935396D+01  0.201586D+01 -0.448728D+01
      3   0.107198D+02 -0.710158D+01  0.384715D+01  0.126581D+01 -0.468117D+01
      4   0.194436D+02  0.892347D+01 -0.368738D+01  0.123978D+02 -0.121057D+02
      5  -0.169235D+02 -0.542058D+01 -0.205607D+01  0.173248D+02 -0.145318D+02
      6   0.208296D+01 -0.607463D+00  0.947091D+00 -0.131976D+02  0.948861D+01
                66            67            68            69            70 
      1   0.141952D+02  0.418559D+01  0.218952D+00 -0.177031D+02  0.136561D+02
      2  -0.358559D+00 -0.282145D+01 -0.488627D+01  0.151527D+02 -0.919708D+00
      3  -0.138366D+02 -0.136414D+01  0.466731D+01  0.255039D+01 -0.127364D+02
      4  -0.198489D+02 -0.776677D+01  0.991874D+01  0.147714D+01 -0.253291D+02
      5  -0.592280D+01 -0.144273D+02 -0.307783D+01  0.903819D+01 -0.697946D+01
      6   0.164636D+01  0.894523D+01  0.649394D+01 -0.701118D+01  0.442035D+01
                71            72            73            74            75 
      1  -0.213792D+02  0.188421D+01  0.604082D+01 -0.283133D+01 -0.750967D+01
      2   0.186455D+02 -0.570151D+01 -0.815830D+01  0.176825D+01 -0.169016D+01
      3   0.273366D+01  0.381729D+01  0.211747D+01  0.106308D+01  0.919983D+01
      4   0.458340D+01  0.111986D+02 -0.732550D+01  0.864346D+01  0.960005D+01
      5   0.118202D+02  0.211923D+01 -0.511130D+01  0.520879D+01  0.171256D+01
      6  -0.104773D+02 -0.811422D+00  0.689532D+01 -0.928372D+01 -0.337060D+01
                76            77            78            79            80 
      1   0.188474D+01  0.121151D+02  0.781029D+01 -0.311522D+01  0.423211D+01
      2  -0.461212D-01 -0.833593D+01 -0.117347D+02 -0.299075D+01 -0.918986D+01
      3  -0.183862D+01 -0.377920D+01  0.392440D+01  0.610597D+01  0.495774D+01
      4   0.585939D+01 -0.551037D+01 -0.398909D+01  0.639789D+01 -0.276286D+00
      5   0.630139D+01 -0.156628D+01 -0.626893D+01  0.340998D+00 -0.441435D+01
      6  -0.931284D+01 -0.528313D+01  0.124184D+01 -0.105476D+01  0.122203D+01
                81            82            83            84            85 
      1   0.189062D+01 -0.290839D+01 -0.868148D+00  0.641295D+01 -0.353312D+01
      2   0.548041D+01  0.554730D+01  0.165443D+01  0.158900D+01  0.736973D+01
      3  -0.737102D+01 -0.263891D+01 -0.786285D+00 -0.800195D+01 -0.383661D+01
      4  -0.237898D+01 -0.793366D+01  0.705441D+00  0.674334D+01 -0.739728D+00
      5   0.637913D+01  0.759943D+01  0.146204D+01 -0.277158D+01  0.888127D+00
      6  -0.104533D+00  0.730279D+01 -0.146373D+01  0.363908D+01 -0.410326D+00
                86            87            88            89            90 
      1  -0.162397D+02  0.967995D+01  0.396287D+01  0.544438D+01  0.248874D+01
      2   0.152807D+02 -0.157173D+02  0.343654D+01 -0.836062D+01  0.490171D+01
      3   0.959002D+00  0.603735D+01 -0.739940D+01  0.291624D+01 -0.739045D+01
      4  -0.744476D+00  0.126249D+01  0.640028D+01  0.990430D-01  0.277732D+01
      5  -0.570445D+01  0.784728D+00 -0.129507D+01  0.146328D+00 -0.318728D+01
      6  -0.140163D+02  0.581645D+01  0.347296D+01  0.301696D+01  0.547582D+01
                91            92            93            94            95 
      1  -0.182507D+01  0.217329D+00 -0.191847D+00  0.384879D+01  0.183777D+02
      2   0.666710D+00 -0.148453D+01 -0.453478D+01 -0.841657D+01 -0.233248D+02
      3   0.115836D+01  0.126720D+01  0.472662D+01  0.456778D+01  0.494718D+01
      4  -0.574242D+01 -0.201669D+01 -0.135152D+02 -0.157552D+01 -0.497809D+01
      5  -0.302160D+01 -0.277908D+01 -0.214596D+01 -0.246617D+01  0.180563D+01
      6  -0.139116D+02 -0.351382D+01 -0.686004D+01 -0.314158D+01  0.298555D+02
                96            97            98            99           100 
      1  -0.163492D+02 -0.140081D+01 -0.228823D+02  0.592270D+01 -0.303533D+01
      2   0.297125D+02 -0.260688D+01  0.352475D+02 -0.978421D+01  0.113913D+00
      3  -0.133633D+02  0.400769D+01 -0.123653D+02  0.386151D+01  0.292142D+01
      4  -0.355468D+01 -0.159629D+02 -0.204840D+01 -0.906288D+01  0.674862D+01
      5   0.504301D+00 -0.255735D+01 -0.186685D+01 -0.387031D+00 -0.708772D+01
      6  -0.110008D+02 -0.946355D+01 -0.149186D+02  0.229307D+01  0.112554D+02
               101           102           103           104           105 
      1  -0.320014D+01 -0.107235D+02 -0.660298D+01  0.115768D+02  0.126120D+02
      2   0.489114D+01  0.954497D+01  0.117634D+02 -0.147036D+02 -0.265713D+02
      3  -0.169100D+01  0.117853D+01 -0.516044D+01  0.312682D+01  0.139593D+02
      4  -0.421735D+01  0.103109D+02 -0.653037D+01  0.123076D+02  0.110341D+02
      5  -0.689311D+00 -0.424544D+01 -0.117905D+01  0.971369D+01  0.120157D+01
      6   0.775215D+01  0.863554D+01  0.797945D+01 -0.266884D+02 -0.878017D+01
               106           107           108           109           110 
      1  -0.141269D+02  0.170692D+02  0.458358D+00 -0.763802D+01  0.232272D+01
      2   0.133834D+02 -0.300275D+02 -0.431380D+01  0.111931D+02 -0.192717D+01
      3   0.743467D+00  0.129583D+02  0.385544D+01 -0.355504D+01 -0.395556D+00
      4   0.105293D+02  0.157278D+02  0.117828D+02  0.327022D+01  0.410009D+01
      5  -0.615022D+01  0.417349D+01  0.227208D+00  0.853248D+01  0.370226D+01
      6   0.118116D+02 -0.113491D+02 -0.231066D+01 -0.340910D+01 -0.584999D+01
               111           112           113           114           115 
      1   0.113399D+02  0.479109D+01 -0.132340D+02 -0.587579D+01  0.777411D+01
      2  -0.513802D+01 -0.750144D+01  0.114793D+02  0.138212D+02 -0.146313D+01
      3  -0.620186D+01  0.271035D+01  0.175471D+01 -0.794544D+01 -0.631098D+01
      4  -0.308730D+01  0.473221D+01 -0.546223D+01 -0.611006D+01 -0.449890D+01
      5  -0.103804D+01  0.387838D+01 -0.821339D+01 -0.252716D+01 -0.914671D-01
      6  -0.551042D+01 -0.465868D+01  0.102698D+02  0.413852D+01 -0.427721D+01
               116           117           118           119           120 
      1  -0.270669D+01  0.404657D+01 -0.403164D+01 -0.703483D+01  0.182275D+01
      2   0.738727D+01  0.333484D+01  0.488983D+01  0.654797D+01 -0.290354D+01
      3  -0.468058D+01 -0.738140D+01 -0.858182D+00  0.486852D+00  0.108079D+01
      4  -0.455150D+01 -0.297714D+01 -0.200598D+01  0.355792D+01  0.124980D+00
      5  -0.810085D+00 -0.159374D+01  0.482023D+00  0.137836D+01  0.658159D+00
      6   0.180279D+01 -0.615299D+01 -0.181416D+01 -0.220479D+01  0.134578D+01
               121           122           123           124           125 
      1  -0.578223D+01 -0.151944D+02  0.663949D+01  0.369492D+01  0.109174D+02
      2   0.160036D+01  0.281503D+02 -0.967581D+01 -0.168223D+01 -0.149956D+02
      3   0.418187D+01 -0.129559D+02  0.303632D+01 -0.201270D+01  0.407821D+01
      4   0.849054D+01 -0.201071D+02  0.532582D+01 -0.250667D+01  0.104903D+02
      5   0.182923D+00  0.656495D+01 -0.641278D+01  0.304025D+01 -0.873937D+01
      6  -0.686940D+00 -0.104532D+02  0.900637D+01 -0.127135D+01  0.121066D+02
               126           127           128           129           130 
      1  -0.628779D+01  0.343122D+02 -0.131663D+02 -0.107393D+02 -0.718100D+01
      2   0.744047D+01 -0.136889D+02  0.872259D+00  0.444002D+01 -0.347780D+01
      3  -0.115268D+01 -0.206233D+02  0.122940D+02  0.629925D+01  0.106588D+02
      4  -0.731269D+01 -0.332850D+02  0.231449D+02  0.138775D+02  0.222108D+02
      5   0.922344D+01 -0.202665D+02  0.112698D+02  0.141928D+02  0.917999D+01
      6  -0.113269D+02  0.105123D+02 -0.688038D+01 -0.720601D+01 -0.756659D+01
               131           132           133           134           135 
      1   0.435354D+01  0.267612D+01 -0.136197D+02  0.613431D+01  0.626994D+01
      2   0.702057D+01  0.108688D+01  0.624853D+01 -0.119536D+01 -0.396715D+01
      3  -0.113741D+02 -0.376300D+01  0.737112D+01 -0.493895D+01 -0.230279D+01
      4  -0.234154D+02 -0.103606D+02  0.197947D+02 -0.157997D+02 -0.155251D+02
      5  -0.912877D+01 -0.756343D+01  0.192809D+02 -0.131578D+02 -0.182079D+02
      6   0.747459D+01  0.775437D+01 -0.109883D+02  0.110660D+02  0.118403D+02
               136           137           138           139           140 
      1   0.222644D+02  0.861955D+01 -0.460174D+01  0.151413D+02  0.739934D+01
      2  -0.128596D+02 -0.445574D+01  0.310484D+01 -0.737162D+01 -0.287455D+01
      3  -0.940485D+01 -0.416380D+01  0.149690D+01 -0.776971D+01 -0.452479D+01
      4   0.780506D+01  0.708259D+01 -0.406099D+01  0.100226D+02  0.181895D+02
      5  -0.551292D+01 -0.421523D+01  0.741667D+01 -0.601823D+01 -0.843717D+01
      6  -0.136003D+01 -0.759173D+00  0.256400D+00 -0.991327D+00 -0.229167D+01
               141           142           143           144           145 
      1  -0.522472D+01 -0.114090D+02 -0.642680D+01  0.787671D+01  0.646407D+02
      2   0.239403D+01  0.704981D+01  0.500134D+01 -0.675780D+01 -0.371714D+02
      3   0.283069D+01  0.435914D+01  0.142545D+01 -0.111891D+01 -0.274693D+02
      4  -0.744770D+01 -0.716408D+01 -0.110828D+02  0.684100D+01 -0.161027D+02
      5   0.800748D+01  0.125292D+02  0.827948D+01 -0.145985D+02  0.290638D+02
      6   0.227915D+01  0.759479D+00  0.254909D+01 -0.144258D+01 -0.625806D+01
               146           147           148           149           150 
      1  -0.650067D+01  0.206428D+02 -0.827027D+01  0.794276D+01 -0.353610D+01
      2   0.261388D+01 -0.135408D+02  0.275007D+01 -0.336936D+01  0.167497D+01
      3   0.388679D+01 -0.710193D+01  0.552019D+01 -0.457340D+01  0.186113D+01
      4   0.101754D+02 -0.609270D+01  0.153421D+02 -0.707857D+01  0.481620D+01
      5  -0.465345D+01  0.183945D+02 -0.569100D+01  0.440058D+01 -0.311921D+01
      6   0.192648D+01 -0.347183D+01  0.389177D+01 -0.194986D+01  0.362036D+01
               151           152           153           154           155 
      1   0.293525D+02 -0.381510D+01  0.166534D+02  0.614732D+01 -0.439430D+01
      2  -0.206943D+02  0.204177D+01 -0.143469D+02  0.165903D+01  0.126418D+02
      3  -0.865820D+01  0.177333D+01 -0.230649D+01 -0.780635D+01 -0.824752D+01
      4  -0.982784D+01  0.446354D+01 -0.522478D+01  0.241981D+02  0.118951D+02
      5   0.272120D+02 -0.309531D+01  0.212099D+02  0.552164D+01  0.172629D+01
      6  -0.530382D+01  0.312715D+01 -0.459328D+01  0.984731D+01  0.416815D+01
               156           157           158           159           160 
      1   0.179309D+01 -0.365962D+01 -0.523455D+01 -0.104956D+01  0.954314D+00
      2   0.131503D+01  0.829420D+01  0.113416D+02  0.167872D+01  0.148485D+01
      3  -0.310812D+01 -0.463458D+01 -0.610707D+01 -0.629160D+00 -0.243917D+01
      4   0.956847D+01  0.686935D+01  0.102818D+02  0.285214D+01  0.148990D+02
      5   0.480792D+01  0.974251D+00  0.182279D+01  0.893115D+00  0.561058D+01
      6   0.884439D+01  0.236722D+01  0.280475D+01  0.483528D+01  0.102843D+02
               161           162           163           164           165 
      1  -0.249042D+01 -0.223280D+01 -0.406439D+01  0.354376D+00  0.145379D+00
      2   0.622463D+01  0.333099D+01  0.778086D+01  0.631736D+00 -0.237357D+00
      3  -0.373421D+01 -0.109820D+01 -0.371647D+01 -0.986112D+00  0.919774D-01
      4   0.690886D+01  0.971096D+01  0.212280D+01  0.130459D+02 -0.366901D+01
      5   0.259869D+01  0.529075D+01 -0.176006D+00 -0.265901D+01  0.297934D+01
      6   0.948671D+01  0.137663D+02 -0.358652D+01 -0.641467D+00  0.110708D+01
               166           167           168           169           170 
      1  -0.217592D+01 -0.403278D+02  0.147292D+02  0.210157D+01  0.223968D+02
      2   0.474818D+01  0.685695D+02 -0.220642D+02 -0.269252D+01 -0.311859D+02
      3  -0.257227D+01 -0.282417D+02  0.733501D+01  0.590947D+00  0.878905D+01
      4   0.910981D+01  0.666525D+01 -0.256519D+01 -0.344953D+01 -0.349072D+01
      5  -0.101338D+01 -0.728760D+00  0.740695D+00  0.267129D+01  0.139015D+01
      6  -0.212780D+01 -0.308226D+02  0.190033D+02  0.362981D+01  0.276283D+02
               171           172           173           174           175 
      1  -0.148239D+02  0.173221D+02  0.147848D+01  0.630337D+01  0.357563D+01
      2   0.171161D+02 -0.643535D+01 -0.831293D+01 -0.308973D+01 -0.684621D+01
      3  -0.229226D+01 -0.108868D+02  0.683445D+01 -0.321363D+01  0.327058D+01
      4   0.339558D+01 -0.252898D+02  0.110997D+02 -0.878565D+01  0.564839D+01
      5  -0.115661D+01  0.851079D+01 -0.126692D+01  0.716366D+01 -0.883244D-01
      6  -0.216536D+02 -0.909261D+01  0.184989D+01 -0.819769D+01  0.371079D+00
               176           177           178           179           180 
      1   0.379868D+00  0.945793D+00  0.826208D+01  0.323815D+00  0.278142D+01
      2   0.287484D+01 -0.800959D+00 -0.487379D+01 -0.329408D+01 -0.165637D+01
      3  -0.325471D+01 -0.144834D+00 -0.338829D+01  0.297027D+01 -0.112505D+01
      4  -0.801907D+01  0.107608D+01 -0.147813D+02  0.453438D+01 -0.978930D+01
      5   0.160974D+01 -0.369470D+00  0.895669D+01 -0.284421D+01  0.855362D+01
      6  -0.125433D+01  0.252189D+01 -0.103525D+02  0.612295D+01 -0.119307D+02
               181           182           183           184           185 
      1  -0.171307D+01  0.512446D+00  0.117809D+01  0.469312D+01 -0.306218D+02
      2   0.792897D+01 -0.723523D+01 -0.311155D+01 -0.130848D+02  0.564761D+02
      3  -0.621591D+01  0.672279D+01  0.193346D+01  0.839173D+01 -0.258543D+02
      4  -0.117782D+02  0.169048D+02  0.600857D+01  0.151656D+02 -0.256407D+02
      5  -0.262011D+01  0.425436D+01  0.445401D+01  0.309812D+01 -0.699542D+01
      6   0.552987D+01 -0.622724D+01 -0.491804D+01 -0.815130D+01  0.274899D+02
               186           187           188           189           190 
      1  -0.111260D+02  0.449455D+01 -0.166302D+02 -0.110993D+02  0.309763D+02
      2   0.181964D+02 -0.730638D+01  0.250020D+02  0.134141D+02 -0.188706D+02
      3  -0.707043D+01  0.281183D+01 -0.837177D+01 -0.231481D+01 -0.121057D+02
      4  -0.100866D+02  0.813239D+01 -0.146615D+02 -0.108167D+02 -0.343382D+00
      5  -0.455667D+01  0.550771D+01 -0.723254D+01 -0.661826D+01 -0.825699D+01
      6   0.175063D+02 -0.944293D+01  0.247883D+02  0.206156D+02 -0.346864D+00
               191           192           193           194           195 
      1  -0.671518D+01 -0.778253D+01 -0.139257D+02  0.946025D+01  0.688700D+01
      2   0.472374D+01  0.576167D+01  0.839763D+01 -0.723714D+01 -0.431320D+01
      3   0.199144D+01  0.202086D+01  0.552802D+01 -0.222310D+01 -0.257380D+01
      4   0.644219D+01  0.288719D+01  0.692979D+01 -0.103312D+02 -0.377424D+01
      5   0.439158D+01  0.908593D+01  0.637641D+01 -0.581578D+01 -0.605438D+01
      6   0.191006D+00  0.152450D+01  0.419159D+00  0.227186D+00  0.579745D+00
               196           197           198           199           200 
      1  -0.157950D+02  0.782978D+01  0.104699D+02  0.469073D+02  0.122452D+02
      2   0.113992D+02 -0.731452D+01 -0.919911D+01 -0.232516D+02 -0.336730D+01
      3   0.439584D+01 -0.515268D+00 -0.127082D+01 -0.236557D+02 -0.887785D+01
      4   0.374530D+01 -0.590131D+01 -0.212244D+01  0.303462D+02  0.166438D+02
      5   0.142693D+02 -0.503523D+01 -0.144181D+02  0.228671D+02  0.893938D+01
      6   0.224437D+01  0.954974D+00 -0.234124D+01  0.106822D+02  0.503761D+01
               201           202           203           204           205 
      1   0.146909D+02  0.112913D+02  0.690599D+01  0.469809D+01  0.203700D+02
      2  -0.833110D+01 -0.815680D+00  0.138259D+01 -0.106498D+01 -0.123882D+02
      3  -0.635977D+01 -0.104756D+02 -0.828859D+01 -0.363311D+01 -0.798189D+01
      4   0.117625D+02  0.215904D+02  0.174561D+02  0.885160D+01  0.188822D+02
      5   0.157503D+02  0.955140D+01  0.740624D+01  0.630574D+01  0.236160D+02
      6   0.665177D+01  0.723568D+01  0.571926D+01  0.617729D+01  0.106809D+02
               206           207           208           209           210 
      1   0.661094D+01  0.121254D+02 -0.707342D+01  0.828487D+01  0.364260D+01
      2  -0.264218D+01 -0.982338D+01  0.763276D+01 -0.109834D+02 -0.538976D+01
      3  -0.396875D+01 -0.230202D+01 -0.559345D+00  0.269856D+01  0.174716D+01
      4   0.105346D+02  0.121279D+02 -0.369621D+01  0.383192D+01  0.987221D+00
      5   0.842443D+01  0.193860D+02  0.491360D+00 -0.155785D+01 -0.124452D-01
      6   0.671810D+01  0.982170D+01  0.348153D+01 -0.460362D+01 -0.369570D+01
               211           212           213           214           215 
      1   0.509208D+01 -0.197306D+02 -0.753948D+01  0.582924D+01 -0.134328D+02
      2  -0.412998D+01  0.330540D+02  0.102318D+02 -0.488648D+01  0.179320D+02
      3  -0.962099D+00 -0.133234D+02 -0.269233D+01 -0.942759D+00 -0.449919D+01
      4   0.651769D+01  0.103171D+02  0.934359D+00  0.279497D+01  0.360304D+01
      5  -0.824357D+00  0.330824D+01  0.404098D+01  0.117410D+01  0.586389D+01
      6  -0.287010D+01  0.104100D+02  0.971019D+01 -0.163692D+01  0.139913D+02
               216           217           218           219           220 
      1  -0.900352D+01  0.141347D+02  0.636342D+01 -0.347181D+01  0.159650D+01
      2   0.101593D+02  0.169089D+00  0.667814D+01 -0.173241D+01  0.979871D+01
      3  -0.115582D+01 -0.143038D+02 -0.130416D+02  0.520422D+01 -0.113952D+02
      4   0.298698D+01  0.285641D+02  0.259224D+02 -0.129988D+02  0.225124D+02
      5   0.606157D+01 -0.123505D+02 -0.106315D+02  0.101415D+02 -0.839386D+01
      6   0.133609D+02 -0.102853D+02 -0.980060D+01  0.782339D+01 -0.984763D+01
               221           222           223           224           225 
      1  -0.628362D+01  0.162858D+01 -0.311484D+01  0.128700D+01 -0.208918D+01
      2   0.238302D+02 -0.685544D+01 -0.292469D+01 -0.806978D+01  0.438376D+01
      3  -0.175466D+02  0.522685D+01  0.603953D+01  0.678278D+01 -0.229458D+01
      4   0.317391D+02 -0.131029D+02 -0.177024D+02 -0.209293D+02  0.160684D+02
      5  -0.114943D+02  0.816809D+01  0.128247D+02  0.136834D+02 -0.146772D+02
      6  -0.145628D+02  0.117629D+02  0.114406D+02  0.175855D+02 -0.161659D+02
               226           227           228           229           230 
      1  -0.578314D+01  0.921080D+01 -0.676481D+01  0.623299D+01 -0.134109D+02
      2   0.523947D+01 -0.899359D+01  0.417558D+01 -0.517920D+01  0.172635D+02
      3   0.543673D+00 -0.217215D+00  0.258922D+01 -0.105379D+01 -0.385257D+01
      4  -0.106901D+02  0.306215D+01 -0.224186D+01  0.697298D+01 -0.459910D+01
      5   0.357812D+01 -0.216112D+01  0.139874D+01 -0.169750D+01  0.209678D+01
      6  -0.459654D+01  0.116327D+02 -0.837186D+01  0.558048D+01 -0.127565D+02
               231           232           233           234           235 
      1   0.764304D+01 -0.275103D+01  0.546741D+01 -0.704595D+01  0.161683D+01
      2  -0.625221D+01  0.134811D+01 -0.226094D+01  0.133256D+01 -0.486072D+01
      3  -0.139083D+01  0.140292D+01 -0.320647D+01  0.571339D+01  0.324389D+01
      4   0.338595D+01 -0.827739D+00  0.367146D+01 -0.320698D+01  0.276680D+01
      5  -0.545770D+00  0.192469D+01 -0.103177D+01  0.348109D+00 -0.609371D+01
      6   0.924461D+01 -0.429932D+01  0.705515D+01 -0.855459D+01 -0.203652D+01
               236           237           238           239           240 
      1   0.250289D+00 -0.558857D+00 -0.263119D+00 -0.789456D-01 -0.126019D+01
      2   0.794504D+00  0.674277D+01  0.146778D+01 -0.370948D+01 -0.587918D+01
      3  -0.104479D+01 -0.618391D+01 -0.120466D+01  0.378843D+01  0.713937D+01
      4   0.238117D+01 -0.145471D+01 -0.212719D+01 -0.557525D+01  0.813534D+00
      5  -0.248192D+00  0.890992D+01  0.216562D+01 -0.140811D+00 -0.442235D+01
      6  -0.111659D+00  0.307136D+01  0.190992D+01  0.256049D+01 -0.452789D+00
               241           242           243           244           245 
      1   0.376208D+00  0.212372D+01 -0.106967D+02  0.100272D+02 -0.378083D+01
      2   0.496484D+01 -0.273680D+01 -0.174518D+02 -0.615439D+01  0.353923D+01
      3  -0.534105D+01  0.613080D+00  0.281485D+02 -0.387277D+01  0.241603D+00
      4  -0.311966D+01 -0.282903D+01  0.185676D+00 -0.766084D+01  0.784930D+01
      5   0.684921D+01  0.539786D+00 -0.154705D+02  0.719585D+01 -0.589076D+01
      6   0.254649D+01  0.440666D+01 -0.129091D+02 -0.323028D+01  0.269550D+01
               246           247           248           249           250 
      1   0.283968D+01 -0.916672D+01  0.236033D+01 -0.305330D+01 -0.349518D+00
      2  -0.351323D+01  0.823108D+01 -0.344671D+01  0.592934D+01 -0.234547D+01
      3   0.673543D+00  0.935639D+00  0.108638D+01 -0.287605D+01  0.269498D+01
      4  -0.491437D+01  0.586700D+01 -0.146849D+02  0.637600D+01 -0.455995D+01
      5   0.642840D+01 -0.116662D+02  0.809168D+01 -0.979007D+01  0.535527D+01
      6  -0.189755D+01  0.474246D+01 -0.667190D+01  0.426772D+01 -0.197799D+01
               251           252           253           254           255 
      1  -0.349975D+00 -0.862294D+00 -0.549012D+01  0.948908D+00  0.353289D+01
      2   0.233782D+01 -0.485394D+01  0.233989D+01  0.244135D+00  0.176758D+01
      3  -0.198785D+01  0.571624D+01  0.315023D+01 -0.119304D+01 -0.530047D+01
      4   0.370899D+01 -0.484925D+01 -0.342709D+01 -0.246906D+00 -0.100179D+01
      5  -0.523241D+01  0.815684D+01 -0.261085D+01 -0.741186D+00 -0.186825D+00
      6   0.372977D+01 -0.258962D+01  0.767282D+00 -0.344379D+00 -0.196409D+01
               256           257           258           259           260 
      1   0.266307D+01 -0.379168D+01 -0.665637D+01  0.289132D+01 -0.396563D+01
      2  -0.162830D+01 -0.217093D-01 -0.119113D+01 -0.372309D+01 -0.137736D+01
      3  -0.103477D+01  0.381339D+01  0.784750D+01  0.831776D+00  0.534299D+01
      4   0.398861D+01  0.355820D+01  0.347109D+01  0.216751D+01  0.341715D+01
      5   0.186881D+01  0.370851D+01  0.555915D+01  0.537299D+01  0.297623D+01
      6   0.145390D+01  0.537561D+01  0.860550D+01  0.958543D+00  0.590583D+01
               261           262           263           264           265 
      1  -0.168678D+02  0.187996D+02  0.280104D+01 -0.687323D+01  0.125086D+01
      2  -0.112624D+02 -0.169767D+02 -0.587887D+01  0.916978D+01 -0.348757D+01
      3   0.281302D+02 -0.182299D+01  0.307783D+01 -0.229655D+01  0.223671D+01
      4   0.191308D+01 -0.120852D+02  0.483534D+01  0.520197D+01 -0.622261D-01
      5   0.165248D+02 -0.179356D+02  0.990509D+00  0.108719D+02 -0.431628D+01
      6   0.115143D+02  0.558057D+01 -0.224958D+01 -0.507447D+01  0.412893D+00
               266           267           268           269           270 
      1   0.446288D+01 -0.326536D+00 -0.417160D+01  0.309866D+00  0.190826D+01
      2  -0.381040D+01  0.167651D+01  0.742287D+01 -0.941490D+00 -0.769113D+01
      3  -0.652481D+00 -0.134998D+01 -0.325127D+01  0.631624D+00  0.578287D+01
      4   0.428245D+00  0.669870D+00  0.161271D+01  0.638404D-01 -0.218947D+01
      5  -0.262626D+00  0.251726D+01  0.803134D+01  0.621686D+00 -0.770503D+01
      6  -0.165943D+01 -0.487324D+00 -0.246586D+01  0.945996D+00  0.395308D+01
               271           272           273           274           275 
      1  -0.481721D+00 -0.585749D+01 -0.778131D+01 -0.155243D+01 -0.307156D+01
      2  -0.411699D+01  0.545766D+01 -0.148306D+01  0.128233D+01  0.697046D+00
      3   0.459871D+01  0.399829D+00  0.926437D+01  0.270097D+00  0.237451D+01
      4   0.411280D+01 -0.188854D+01  0.257100D+01 -0.111577D+00  0.168817D+01
      5   0.178265D+01 -0.884137D+00  0.244862D+01 -0.312909D+00  0.180183D+01
      6   0.178233D+01  0.542180D+01  0.815060D+01  0.233032D+01  0.331802D+01
               276           277           278           279           280 
      1  -0.266059D+01 -0.244595D+01 -0.611575D+01 -0.159206D+02  0.124037D+02
      2   0.784983D+00 -0.747083D+00  0.180384D+01 -0.122068D+02 -0.115674D+02
      3   0.187561D+01  0.319303D+01  0.431191D+01  0.281273D+02 -0.836360D+00
      4   0.134807D+01  0.326549D+01 -0.140998D+01  0.281535D+01  0.176426D+02
      5   0.651906D+00  0.368714D+01 -0.728613D+00 -0.346940D+01 -0.155378D+02
      6   0.603301D+01  0.127706D+01  0.757565D+01  0.198316D+02 -0.883870D+01
               281           282           283           284           285 
      1  -0.336472D+01 -0.267410D+01  0.636863D+00  0.353369D+01 -0.114786D+01
      2   0.605242D+01  0.551861D+01  0.138859D+01 -0.134087D+01  0.287556D+00
      3  -0.268770D+01 -0.284451D+01 -0.202546D+01 -0.219282D+01  0.860307D+00
      4   0.670992D+01 -0.881109D+01  0.320413D+01  0.282617D+01 -0.913818D+00
      5  -0.472155D+01  0.988856D+01  0.241077D-03 -0.598679D+00 -0.106954D+00
      6  -0.531880D+01  0.781685D+01 -0.130658D+01  0.646550D+00  0.803333D+00
               286           287           288           289           290 
      1  -0.234481D+01 -0.109397D+01  0.353506D+00 -0.640800D+00  0.632841D+01
      2   0.541501D+01  0.243770D+01 -0.602899D+01 -0.393652D+01 -0.653664D+01
      3  -0.307021D+01 -0.134373D+01  0.567548D+01  0.457732D+01  0.208231D+00
      4  -0.413968D+01 -0.115492D+01  0.409846D+01 -0.310351D+01  0.926278D+00
      5   0.719655D+01  0.840165D+00 -0.625663D+01  0.240639D+01 -0.564767D+00
      6   0.409619D+01  0.178339D+01 -0.571572D+01 -0.325680D+01  0.533383D+01
               291           292           293           294           295 
      1  -0.635523D+01  0.173185D+01  0.480050D-01  0.128453D+00 -0.239182D+01
      2  -0.309363D+01 -0.207916D+01 -0.238412D+01 -0.719316D+00 -0.182458D+01
      3   0.944885D+01  0.347314D+00  0.233612D+01  0.590863D+00  0.421640D+01
      4  -0.415597D+01  0.385529D+00 -0.198399D+01  0.970063D+00 -0.334478D+01
      5   0.481947D+01 -0.323379D+00  0.235162D+01 -0.948418D+00  0.406659D+01
      6  -0.846647D+01  0.219767D+01 -0.696769D+00  0.359515D+01 -0.222146D+01
               296           297           298           299           300 
      1   0.591321D+01 -0.142995D+02  0.309825D+01  0.213248D+01 -0.202733D-03
      2  -0.254859D+01 -0.138016D+02  0.248315D+00 -0.923379D+00  0.140832D+00
      3  -0.336462D+01  0.281011D+02 -0.334657D+01 -0.120910D+01 -0.140629D+00
      4  -0.133254D+00 -0.337613D+01  0.633692D+01  0.675039D+01  0.364760D+01
      5  -0.201703D+00  0.169432D+01  0.231034D+01  0.422574D+01  0.335196D+01
      6   0.717806D+01 -0.200268D+02  0.218758D+01  0.270459D+01  0.164105D+01
               301           302           303           304           305 
      1   0.827500D+01 -0.472449D+01 -0.143339D+00 -0.244671D+01 -0.196195D+01
      2  -0.652165D+01  0.466195D+01 -0.299987D+01  0.446499D+00 -0.765332D+00
      3  -0.175334D+01  0.625331D-01  0.314320D+01  0.200021D+01  0.272728D+01
      4   0.760246D+01  0.180258D+02  0.919111D+01  0.330340D+01  0.507784D+01
      5   0.944394D+01  0.939195D+01  0.978113D+01  0.336581D+01  0.529838D+01
      6   0.628095D+01  0.106408D+02  0.749983D+01  0.180577D+01  0.578748D+01
               306           307           308           309           310 
      1  -0.366968D+01 -0.509449D+01 -0.167868D+01  0.162525D+01 -0.522398D+01
      2  -0.199780D+01  0.246824D+01  0.796470D+00  0.146623D+01  0.450496D+01
      3   0.566748D+01  0.262625D+01  0.882208D+00 -0.309148D+01  0.719023D+00
      4   0.514635D+01  0.256133D+00  0.739021D+00  0.162109D+00  0.351866D+01
      5   0.715534D+01 -0.156356D+01 -0.913218D+00  0.124817D+01 -0.388854D+01
      6   0.452698D+01 -0.177026D+01  0.494976D+00  0.472991D-01  0.157273D+01
               311           312           313           314           315 
      1  -0.338353D+01  0.519344D+01  0.287442D+01  0.295718D+01 -0.155766D+02
      2  -0.955676D+00  0.378189D+01 -0.502617D+01  0.200352D+01 -0.125249D+02
      3   0.433920D+01 -0.897533D+01  0.215176D+01 -0.496071D+01  0.281016D+02
      4  -0.318014D+01  0.455593D+01 -0.118129D+01  0.343624D+01 -0.303775D+01
      5   0.415657D+01 -0.751028D+01  0.635298D+01 -0.284722D+01  0.188754D+02
      6  -0.385768D+01  0.715555D+01 -0.826689D+00  0.492505D+01 -0.695844D+01
               316           317           318           319           320 
      1  -0.552450D+01 -0.721273D+01 -0.486720D+01 -0.673389D+01 -0.178724D+02
      2   0.539192D+01  0.582663D+01  0.269565D+01  0.465957D+01  0.210708D+02
      3   0.132588D+00  0.138610D+01  0.217156D+01  0.207431D+01 -0.319843D+01
      4   0.524232D+01  0.450998D-01 -0.641426D+00  0.558527D+01 -0.268636D+01
      5   0.212915D+01 -0.570296D-01 -0.293916D+00  0.109454D+01 -0.117504D+01
      6   0.129193D+01  0.877546D+01  0.591160D+01  0.274378D+01  0.166716D+02
               321           322           323           324           325 
      1  -0.995803D+01 -0.134207D+01 -0.747393D+01 -0.808455D+01  0.225095D+01
      2   0.793781D+01  0.915476D+00  0.411360D+01  0.234347D+01 -0.496024D+01
      3   0.202021D+01  0.426590D+00  0.336033D+01  0.574108D+01  0.270929D+01
      4  -0.687954D+00 -0.278732D+00  0.150321D+01  0.727699D+00 -0.557315D+00
      5  -0.197361D+01  0.101149D+01 -0.528157D+00 -0.182773D+01 -0.539968D+01
      6   0.109422D+02  0.277136D+01  0.809296D+01  0.840247D+01 -0.681757D-01
               326           327           328           329           330 
      1  -0.997089D-01 -0.104105D+01  0.257998D+01 -0.277113D+01  0.928381D+00
      2  -0.673337D+00  0.526362D+01 -0.348291D+01 -0.151675D+01  0.754215D+01
      3   0.773046D+00 -0.422257D+01  0.902929D+00  0.428788D+01 -0.847053D+01
      4   0.595402D+00 -0.416671D+00 -0.306532D+01  0.557463D+01 -0.541398D+00
      5  -0.129423D+01  0.802920D+01 -0.412716D+01 -0.488825D+00  0.664441D+01
      6   0.594870D+00 -0.863975D+00  0.195147D+01 -0.203852D+01  0.481418D+00
               331           332           333 
      1  -0.738789D+00 -0.628247D+00 -0.110145D+02
      2   0.577691D+01  0.260625D+01 -0.171185D+02
      3  -0.503812D+01 -0.197801D+01  0.281330D+02
      4   0.251094D+01 -0.311810D+01  0.148244D+01
      5   0.747490D+01  0.271100D+00 -0.182373D+02
      6  -0.175686D+01  0.381093D+01  0.853161D+01
 Leave Link  716 at Fri Jul  9 04:34:39 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154664D+03 -0.173099D-01  0.586794D-02
      2  -0.173099D-01  0.154593D+03  0.442262D-02
      3   0.586794D-02  0.442262D-02  0.120347D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.480121D+01  0.112875D-01  0.118212D-01
      2  -0.229493D-01  0.483133D+01  0.282726D-01
      3  -0.409297D-01 -0.168731D+00 -0.799564D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.323150D+02 -0.795845D+02 -0.599151D-02
      2  -0.323172D+02  0.796559D+02 -0.179810D-01
      3   0.224070D-02 -0.713980D-01  0.239725D-01
      4  -0.796140D+02 -0.322452D+02  0.712574D-02
      5  -0.473607D-01  0.640094D+01  0.103955D-01
      6  -0.637512D+01 -0.410933D-01 -0.521318D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.480279D+00  0.164013D+01 -0.162933D+01  0.793673D+00  0.924187D+00
      2   0.164013D+01  0.196381D+01 -0.338549D+01  0.924187D+00  0.302389D+01
      3  -0.162933D+01 -0.338549D+01 -0.157937D+00 -0.343453D+01 -0.443556D+00
                 6             7             8             9            10 
      1  -0.343453D+01 -0.200083D+01 -0.473008D+01  0.330571D+00  0.391258D+01
      2  -0.443556D+00 -0.473008D+01 -0.131108D+01  0.268535D+01  0.511505D+00
      3   0.166777D+01  0.330571D+00  0.268535D+01 -0.331451D+00  0.225997D+01
                11            12            13            14            15 
      1   0.511505D+00  0.225997D+01  0.170779D+01  0.955822D+00  0.319445D+01
      2   0.319757D+00  0.323170D+01  0.955822D+00 -0.384072D+00 -0.191651D+00
      3   0.323170D+01  0.152922D+01  0.319445D+01 -0.191651D+00 -0.603791D+00
                16            17            18            19            20 
      1   0.369932D+01  0.422291D+01  0.265339D+01 -0.864109D+01 -0.164308D+01
      2   0.422291D+01 -0.471432D+00 -0.403071D+00 -0.164308D+01  0.431993D+00
      3   0.265339D+01 -0.403071D+00  0.300560D+00 -0.385596D+01 -0.225112D+01
                21            22            23            24            25 
      1  -0.385596D+01 -0.401144D+01 -0.449083D+00 -0.274344D+01 -0.263107D+01
      2  -0.225112D+01 -0.449083D+00 -0.123497D+01 -0.538329D-02 -0.139084D+01
      3  -0.161132D+01 -0.274344D+01 -0.538329D-02  0.362964D+00 -0.186474D+01
                26            27            28            29            30 
      1  -0.139084D+01 -0.186474D+01 -0.740498D+00  0.126737D+01 -0.901317D-01
      2   0.496877D-01  0.106201D+01  0.126737D+01  0.486506D+00 -0.162383D+01
      3   0.106201D+01  0.704985D+00 -0.901317D-01 -0.162383D+01 -0.638250D-01
                31            32            33            34            35 
      1   0.125337D+01  0.621680D+00  0.160911D+01 -0.176648D+00 -0.119798D-01
      2   0.621680D+00 -0.146818D+01 -0.912592D-03 -0.119798D-01 -0.756715D-01
      3   0.160911D+01 -0.912592D-03 -0.386469D-01 -0.676747D-01 -0.205348D-01
                36            37            38            39            40 
      1  -0.676747D-01 -0.192546D+01 -0.204659D+01  0.156688D+01 -0.603480D+00
      2  -0.205348D-01 -0.204659D+01 -0.537652D+01  0.339082D+01 -0.336853D+01
      3  -0.468496D-01  0.156688D+01  0.339082D+01 -0.786553D-01  0.289539D+01
                41            42            43            44            45 
      1  -0.336853D+01  0.289539D+01  0.987292D+00  0.193603D+01  0.497318D+00
      2  -0.606153D+01  0.232818D+01  0.193603D+01  0.185067D+01 -0.212572D+01
      3   0.232818D+01 -0.166018D+01  0.497318D+00 -0.212572D+01 -0.669661D+00
                46            47            48            49            50 
      1   0.985866D+01  0.842430D+00  0.493614D+01 -0.159284D+01 -0.250824D-01
      2   0.842430D+00 -0.296500D+00 -0.986438D+00 -0.250824D-01 -0.136220D+01
      3   0.493614D+01 -0.986438D+00  0.152694D+01 -0.145726D+01 -0.925605D+00
                51            52            53            54            55 
      1  -0.145726D+01  0.336505D+01 -0.575495D+00  0.163423D+01 -0.438118D+01
      2  -0.925605D+00 -0.575495D+00 -0.479226D+00  0.148950D+01 -0.362194D+00
      3   0.777865D+00  0.163423D+01  0.148950D+01 -0.623466D+00 -0.367467D+01
                56            57            58            59            60 
      1  -0.362194D+00 -0.367467D+01  0.101059D+01 -0.418868D+00  0.216471D+01
      2  -0.208094D+00  0.222780D+01 -0.418868D+00 -0.768161D+00  0.163621D+01
      3   0.222780D+01 -0.139260D+01  0.216471D+01  0.163621D+01 -0.961459D+00
                61            62            63            64            65 
      1  -0.548692D+01  0.263695D+01 -0.247022D+01 -0.172751D+01  0.213346D+01
      2   0.263695D+01  0.229734D+01 -0.104487D+01  0.213346D+01 -0.159775D+01
      3  -0.247022D+01 -0.104487D+01 -0.307775D+00  0.323038D+01 -0.263848D+01
                66            67            68            69            70 
      1   0.323038D+01  0.100886D+01 -0.874815D+00 -0.270482D+01  0.426652D+01
      2  -0.263848D+01 -0.874815D+00  0.206819D+01 -0.115327D+01 -0.393459D+01
      3  -0.255402D+00 -0.270482D+01 -0.115327D+01  0.164396D+01 -0.991570D+00
                71            72            73            74            75 
      1  -0.393459D+01 -0.991570D+00  0.366007D+01 -0.363991D+01 -0.316570D+01
      2  -0.985541D+00  0.247154D+01 -0.363991D+01  0.499425D+01  0.317508D+01
      3   0.247154D+01  0.301350D+00 -0.316570D+01  0.317508D+01  0.491024D+00
                76            77            78            79            80 
      1  -0.168036D+01  0.341306D+01  0.264776D+01 -0.188164D+01  0.190310D+01
      2   0.341306D+01 -0.279475D+01 -0.718101D+00  0.190310D+01 -0.756959D+00
      3   0.264776D+01 -0.718101D+00 -0.156977D+01  0.560783D-01 -0.215914D+01
                81            82            83            84            85 
      1   0.560783D-01 -0.112409D+01  0.745299D+00  0.116577D+01  0.110355D+01
      2  -0.215914D+01  0.745299D+00  0.732970D+00 -0.184505D+00  0.322420D+01
      3   0.686552D+00  0.116577D+01 -0.184505D+00  0.112876D+01 -0.679173D+00
                86            87            88            89            90 
      1   0.322420D+01 -0.679173D+00  0.567670D+00 -0.480542D+00  0.186064D+01
      2   0.875434D+01 -0.511103D+01 -0.480542D+00 -0.335746D+01  0.115407D+01
      3  -0.511103D+01  0.122697D+01  0.186064D+01  0.115407D+01  0.657991D+00
                91            92            93            94            95 
      1  -0.986272D+00 -0.266430D+00 -0.237216D+01 -0.382247D+00 -0.129980D+01
      2  -0.266430D+00  0.435810D-02 -0.517620D+00 -0.129980D+01 -0.413739D+01
      3  -0.237216D+01 -0.517620D+00 -0.130301D+01 -0.596048D+00  0.449331D+01
                96            97            98            99           100 
      1  -0.596048D+00 -0.303716D+01 -0.302396D+00 -0.167305D+01  0.136248D+01
      2   0.449331D+01 -0.302396D+00  0.633934D+01 -0.209996D+01 -0.519654D+00
      3  -0.107756D+01 -0.167305D+01 -0.209996D+01  0.310221D+00  0.219678D+01
               101           102           103           104           105 
      1  -0.519654D+00  0.219678D+01 -0.965946D+00  0.200793D+01  0.115966D+01
      2   0.699471D+00  0.123980D+01  0.200793D+01 -0.312098D+01 -0.425049D+01
      3   0.123980D+01  0.153217D+01  0.115966D+01 -0.425049D+01 -0.692164D+00
               106           107           108           109           110 
      1   0.257937D+01  0.204611D+01  0.216253D+01 -0.206103D+00  0.224447D+01
      2   0.204611D+01 -0.588524D+01 -0.161213D+01  0.224447D+01 -0.198196D+01
      3   0.216253D+01 -0.161213D+01 -0.314276D+00 -0.557351D+00 -0.169206D+01
               111           112           113           114           115 
      1  -0.557351D+00  0.326474D+01 -0.421938D+01 -0.215528D+01 -0.534794D-01
      2  -0.169206D+01 -0.421938D+01  0.637480D+01  0.445416D+01 -0.134283D+01
      3  -0.141755D+01 -0.215528D+01  0.445416D+01  0.867580D+00 -0.208949D+01
               116           117           118           119           120 
      1  -0.134283D+01 -0.208949D+01 -0.546154D+00 -0.862194D+00  0.262219D+00
      2   0.283921D+01  0.610494D+00 -0.862194D+00 -0.453245D+00  0.400718D+00
      3   0.610494D+00 -0.680308D+00  0.262219D+00  0.400718D+00 -0.268929D+00
               121           122           123           124           125 
      1  -0.144119D+01  0.486531D+00  0.119505D+00  0.758484D+00  0.230140D+00
      2   0.486531D+00 -0.492970D+01  0.160540D+01  0.230140D+00  0.271280D+01
      3   0.119505D+00  0.160540D+01 -0.146450D+01  0.232081D+00 -0.191889D+01
               126           127           128           129           130 
      1   0.232081D+00  0.647890D+01 -0.304432D+01 -0.225308D+01 -0.249115D+01
      2  -0.191889D+01 -0.304432D+01  0.259731D+01  0.132352D+01  0.255880D+01
      3   0.207766D+01 -0.225308D+01  0.132352D+01  0.170085D+01  0.126091D+01
               131           132           133           134           135 
      1   0.255880D+01  0.126091D+01 -0.361498D+01  0.252214D+01  0.256648D+01
      2  -0.326866D+01 -0.113012D+01  0.252214D+01 -0.193094D+01 -0.203992D+01
      3  -0.113012D+01 -0.116992D+01  0.256648D+01 -0.203992D+01 -0.258987D+01
               136           137           138           139           140 
      1   0.294595D+01  0.124455D+01 -0.706617D+00  0.227094D+01  0.121032D+01
      2   0.124455D+01  0.962570D+00 -0.526417D+00  0.121032D+01  0.285363D+01
      3  -0.706617D+00 -0.526417D+00  0.853167D+00 -0.794383D+00 -0.119963D+01
               141           142           143           144           145 
      1  -0.794383D+00 -0.150177D+01 -0.984604D+00  0.151600D+01  0.920122D+01
      2  -0.119963D+01 -0.984604D+00 -0.196804D+01  0.119397D+01 -0.111933D+01
      3   0.121785D+01  0.151600D+01  0.119397D+01 -0.208654D+01  0.298274D+01
               146           147           148           149           150 
      1  -0.111933D+01  0.298274D+01 -0.155302D+01  0.165993D+01 -0.618323D+00
      2   0.129123D+01 -0.546950D+00  0.165993D+01 -0.854160D+00  0.397739D+00
      3  -0.546950D+00  0.203732D+01 -0.618323D+00  0.397739D+00 -0.385383D+00
               151           152           153           154           155 
      1   0.528120D+01 -0.870569D+00  0.325842D+01  0.379070D+01  0.123565D+01
      2  -0.870569D+00  0.254035D+00 -0.381405D+00  0.123565D+01  0.226331D+01
      3   0.325842D+01 -0.381405D+00  0.258794D+01  0.151942D+01  0.566945D+00
               156           157           158           159           160 
      1   0.151942D+01  0.698277D+00  0.133861D+01  0.273351D+00  0.245761D+01
      2   0.566945D+00  0.133861D+01  0.170492D+01  0.388353D+00  0.692441D+00
      3   0.142023D+01  0.273351D+00  0.388353D+00  0.477392D+00  0.156957D+01
               161           162           163           164           165 
      1   0.692441D+00  0.156957D+01  0.280801D+00  0.146841D+01 -0.284300D+00
      2   0.100327D+01  0.114618D+01  0.146841D+01  0.190965D+00 -0.126161D+00
      3   0.114618D+01  0.209961D+01 -0.284300D+00 -0.126161D+00  0.167234D+00
               166           167           168           169           170 
      1   0.123604D+01  0.675811D+00 -0.189798D+00 -0.169321D+00 -0.533906D+00
      2   0.675811D+00  0.950302D+01 -0.309496D+01 -0.533906D+00 -0.535687D+01
      3  -0.189798D+00 -0.309496D+01  0.206284D+01  0.492842D+00  0.323572D+01
               171           172           173           174           175 
      1   0.492842D+00 -0.451233D+01  0.105102D+01 -0.164655D+01  0.307184D+00
      2   0.323572D+01  0.105102D+01 -0.183737D+01  0.259674D+00 -0.111700D+01
      3  -0.258478D+01 -0.164655D+01  0.259674D+00 -0.148610D+01 -0.258191D-01
               176           177           178           179           180 
      1  -0.111700D+01 -0.258191D-01 -0.269188D+01  0.289733D+00 -0.179503D+01
      2   0.716481D+00 -0.244910D+00  0.289733D+00 -0.688694D+00  0.725495D+00
      3  -0.244910D+00  0.118826D+00 -0.179503D+01  0.725495D+00 -0.208968D+01
               181           182           183           184           185 
      1  -0.149913D+01  0.189100D+01  0.542336D+00  0.178908D+01 -0.222124D+01
      2   0.189100D+01 -0.165517D+01 -0.788438D+00 -0.222124D+01  0.850693D+01
      3   0.542336D+00 -0.788438D+00 -0.683154D+00 -0.863922D+00  0.283185D+01
               186           187           188           189           190 
      1  -0.863922D+00  0.760215D+00 -0.174215D+01 -0.129883D+01 -0.413364D+01
      2   0.283185D+01 -0.174215D+01  0.476519D+01  0.300895D+01  0.769072D+00
      3   0.195176D+01 -0.129883D+01  0.300895D+01  0.258204D+01  0.101825D+01
               191           192           193           194           195 
      1   0.769072D+00  0.101825D+01  0.179886D+01 -0.112744D+01 -0.888731D+00
      2  -0.108430D+01 -0.583397D+00 -0.112744D+01  0.189980D+01  0.793683D+00
      3  -0.583397D+00 -0.112950D+01 -0.888731D+00  0.793683D+00  0.936690D+00
               196           197           198           199           200 
      1   0.194910D+01 -0.106503D+01 -0.180557D+01 -0.768995D+01 -0.240693D+01
      2  -0.106503D+01  0.139306D+01  0.726088D+00 -0.240693D+01 -0.182514D+01
      3  -0.180557D+01  0.726088D+00  0.207528D+01 -0.251945D+01 -0.109136D+01
               201           202           203           204           205 
      1  -0.251945D+01 -0.271306D+01 -0.228554D+01 -0.117757D+01 -0.454323D+01
      2  -0.109136D+01 -0.228554D+01 -0.223731D+01 -0.863223D+00 -0.199783D+01
      3  -0.186177D+01 -0.117757D+01 -0.863223D+00 -0.887822D+00 -0.305468D+01
               206           207           208           209           210 
      1  -0.199783D+01 -0.305468D+01  0.126467D+01 -0.854856D+00 -0.500528D+00
      2  -0.101999D+01 -0.118968D+01 -0.854856D+00  0.124670D+01  0.684060D+00
      3  -0.118968D+01 -0.259283D+01 -0.500528D+00  0.684060D+00  0.626036D+00
               211           212           213           214           215 
      1  -0.115662D+01  0.209942D+00  0.407129D+00 -0.101959D+01  0.686750D+00
      2   0.209942D+00 -0.477169D+01 -0.139896D+01  0.686750D+00 -0.248505D+01
      3   0.407129D+00 -0.139896D+01 -0.134741D+01  0.267021D+00 -0.191594D+01
               216           217           218           219           220 
      1   0.267021D+00 -0.423766D+01 -0.295975D+01  0.155407D+01 -0.242932D+01
      2  -0.191594D+01 -0.295975D+01 -0.306609D+01  0.144863D+01 -0.286972D+01
      3  -0.208696D+01  0.155407D+01  0.144863D+01 -0.134426D+01  0.137415D+01
               221           222           223           224           225 
      1  -0.286972D+01  0.137415D+01  0.230516D+01  0.265242D+01 -0.196044D+01
      2  -0.540861D+01  0.182750D+01  0.265242D+01  0.331083D+01 -0.263583D+01
      3   0.182750D+01 -0.155808D+01 -0.196044D+01 -0.263583D+01  0.260553D+01
               226           227           228           229           230 
      1   0.253761D+01 -0.446017D+00  0.336152D+00 -0.175191D+01  0.124222D+01
      2  -0.446017D+00  0.309008D+01 -0.199223D+01  0.124222D+01 -0.375772D+01
      3   0.336152D+00 -0.199223D+01  0.153969D+01 -0.973852D+00  0.142578D+01
               231           232           233           234           235 
      1  -0.973852D+00  0.318274D+00 -0.103743D+01  0.705883D+00 -0.132796D+01
      2   0.142578D+01 -0.103743D+01  0.709652D+00 -0.890281D+00 -0.258040D+00
      3  -0.133050D+01  0.705883D+00 -0.890281D+00  0.174395D+01  0.106766D+01
               236           237           238           239           240 
      1  -0.258040D+00  0.106766D+01  0.527338D+00  0.109635D+01 -0.834981D+00
      2  -0.284232D+00 -0.170428D+00  0.109635D+01  0.187519D+01 -0.208860D+00
      3  -0.170428D+00 -0.154902D+01 -0.834981D+00 -0.208860D+00  0.142677D+01
               241           242           243           244           245 
      1   0.128404D+01  0.241085D+00 -0.131665D+01 -0.213894D+01  0.138672D+01
      2   0.241085D+00  0.126255D+01 -0.282885D+00  0.138672D+01 -0.173271D+01
      3  -0.131665D+01 -0.282885D+00  0.565577D+01 -0.595712D+00  0.102916D+01
               246           247           248           249           250 
      1  -0.595712D+00  0.349826D+01 -0.880236D+00  0.206625D+01 -0.161521D+00
      2   0.102916D+01 -0.880236D+00  0.295484D+01 -0.119904D+01  0.101862D+01
      3  -0.877768D+00  0.206625D+01 -0.119904D+01  0.184619D+01 -0.673683D+00
               251           252           253           254           255 
      1   0.101862D+01 -0.673683D+00  0.212965D+01  0.454775D+00  0.380717D+00
      2  -0.105756D+01  0.907520D+00  0.454775D+00 -0.232823D+00  0.442747D+00
      3   0.907520D+00 -0.174444D+01  0.380717D+00  0.442747D+00  0.978857D+00
               256           257           258           259           260 
      1  -0.109783D+01 -0.635387D+00 -0.225757D+00 -0.138656D+01 -0.213425D+00
      2  -0.635387D+00 -0.109243D+01 -0.122859D+01 -0.213425D+00 -0.116493D+01
      3  -0.225757D+00 -0.122859D+01 -0.187222D+01 -0.624650D+00 -0.120206D+01
               261           262           263           264           265 
      1  -0.624650D+00 -0.523006D+01  0.396663D+00  0.248325D+01 -0.508774D+00
      2  -0.120206D+01  0.396663D+00 -0.200286D+01 -0.177627D+00  0.806067D-01
      3  -0.565259D+01  0.248325D+01 -0.177627D+00 -0.187855D+01  0.824366D+00
               266           267           268           269           270 
      1   0.806067D-01  0.824366D+00  0.162568D+01  0.452610D+00 -0.110265D+01
      2  -0.121845D+01 -0.615398D+00  0.452610D+00 -0.388711D+00 -0.133859D+00
      3  -0.615398D+00 -0.627793D+00 -0.110265D+01 -0.133859D+00  0.176043D+01
               271           272           273           274           275 
      1   0.671189D+00 -0.830782D+00  0.537362D+00 -0.167242D-01  0.842886D+00
      2  -0.830782D+00  0.222985D+01  0.114045D+01  0.842886D+00  0.206796D+00
      3   0.537362D+00  0.114045D+01  0.201274D+01  0.476905D+00  0.305652D+00
               276           277           278           279           280 
      1   0.476905D+00  0.106037D+01 -0.114253D+00  0.410366D+00  0.495626D+01
      2   0.305652D+00 -0.114253D+00  0.149290D+01  0.128264D+01  0.965903D+00
      3   0.641261D+00  0.410366D+00  0.128264D+01  0.565260D+01 -0.237461D+01
               281           282           283           284           285 
      1   0.965903D+00 -0.237461D+01  0.666233D+00  0.437547D+00  0.274587D-02
      2   0.272303D+01 -0.104667D+01  0.437547D+00 -0.618093D+00  0.610198D+00
      3  -0.104667D+01  0.204178D+01  0.274587D-02  0.610198D+00 -0.167272D+00
               286           287           288           289           290 
      1  -0.169565D+01 -0.118378D+00  0.111180D+01 -0.432720D+00 -0.137740D+00
      2  -0.118378D+00  0.517315D+00  0.120511D+00 -0.137740D+00 -0.238982D+01
      3   0.111180D+01  0.120511D+00 -0.172788D+01 -0.912466D+00  0.977634D+00
               291           292           293           294           295 
      1  -0.912466D+00  0.303664D+00 -0.855059D+00  0.314193D+00 -0.104385D+01
      2   0.977634D+00 -0.855059D+00 -0.857126D+00  0.806199D-01  0.138086D-01
      3  -0.211056D+01  0.314193D+00  0.806199D-01  0.102409D+00 -0.727063D+00
               296           297           298           299           300 
      1   0.138086D-01 -0.727063D+00  0.561413D+00  0.109415D+01 -0.152287D+00
      2  -0.151636D+01  0.113630D+01  0.109415D+01  0.139983D+01  0.723684D+00
      3   0.113630D+01 -0.564497D+01 -0.152287D+00  0.723684D+00  0.365895D+00
               301           302           303           304           305 
      1   0.342665D+01  0.101819D+01  0.179703D+01 -0.317059D+00  0.718266D+00
      2   0.101819D+01  0.421760D+01  0.182029D+01  0.718266D+00  0.143689D+01
      3   0.179703D+01  0.182029D+01  0.205870D+01  0.393049D+00  0.108084D+01
               306           307           308           309           310 
      1   0.393049D+00 -0.178770D+01 -0.325089D+00 -0.342723D+00 -0.192474D+01
      2   0.108084D+01 -0.325089D+00  0.500757D+00  0.317988D-01  0.486333D+00
      3   0.172889D+01 -0.342723D+00  0.317988D-01 -0.469143D+00 -0.638849D+00
               311           312           313           314           315 
      1   0.486333D+00 -0.638849D+00  0.147776D+01 -0.131726D+00  0.904306D+00
      2  -0.682992D+00  0.118470D+01 -0.131726D+00  0.107790D+01 -0.100348D+01
      3   0.118470D+01 -0.206823D+01  0.904306D+00 -0.100348D+01  0.564701D+01
               316           317           318           319           320 
      1  -0.186890D+01  0.354265D-01  0.333914D+00 -0.180485D+01 -0.594274D+00
      2   0.354265D-01 -0.200156D+01 -0.154401D+01 -0.594274D+00 -0.489231D+01
      3   0.333914D+00 -0.154401D+01 -0.116020D+01 -0.501300D+00 -0.208335D+01
               321           322           323           324           325 
      1  -0.501300D+00  0.842751D-01 -0.885891D+00 -0.458467D+00  0.104493D+01
      2  -0.208335D+01 -0.885891D+00 -0.125887D+01 -0.103970D+01  0.344901D+00
      3  -0.168014D+01 -0.458467D+00 -0.103970D+01 -0.175173D+01 -0.740368D+00
               326           327           328           329           330 
      1   0.344901D+00 -0.740368D+00  0.146044D+01 -0.124950D+01 -0.108377D+01
      2  -0.102606D+00 -0.421000D+00 -0.124950D+01  0.126106D+01 -0.116583D+00
      3  -0.421000D+00  0.114733D+01 -0.108377D+01 -0.116583D+00  0.177505D+01
               331           332           333 
      1  -0.141421D+01  0.200849D+00  0.135188D+01
      2   0.200849D+00 -0.115401D+01  0.621568D-01
      3   0.135188D+01  0.621568D-01 -0.565230D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.524661D+01 -0.641222D+01 -0.414124D+01 -0.765040D+01  0.299708D+01
      2   0.619402D+01  0.547363D+01  0.623774D+01  0.566539D+01 -0.388490D+01
      3   0.371380D+01 -0.570501D+01  0.147975D+01 -0.515744D+00  0.291291D+01
                 6             7             8             9            10 
      1   0.165672D+01 -0.524749D+01  0.268969D+01  0.102119D+01 -0.558786D+00
      2  -0.170221D+01  0.295745D+01  0.184944D+00 -0.106502D+01 -0.109680D+01
      3   0.947343D+01 -0.357468D+00  0.135687D+02  0.519874D+01 -0.131455D+01
                11            12            13            14            15 
      1   0.492773D+01 -0.179894D+00  0.500127D+01  0.234595D+01 -0.510053D+01
      2  -0.103824D+02 -0.351786D+00 -0.917190D+01 -0.182708D+01  0.600985D+01
      3  -0.488047D+00  0.942151D+01  0.524071D+01 -0.529648D+01 -0.982080D+00
                16            17            18            19            20 
      1  -0.118639D+01 -0.121570D+01 -0.775571D+00  0.337124D+01 -0.979182D+01
      2  -0.104887D+01  0.631610D+01  0.132790D+01  0.198695D+02  0.479452D+01
      3   0.130265D+02 -0.388160D+01 -0.523695D+01 -0.104497D+02  0.777400D+01
                21            22            23            24            25 
      1   0.552717D+01 -0.182691D+02 -0.122094D+01 -0.102837D+02  0.431301D+01
      2   0.414580D+00 -0.188934D+01  0.108930D+01 -0.843324D+01 -0.276162D+02
      3  -0.788263D+01  0.303163D+02  0.532569D+01  0.117289D+02 -0.215637D+01
                26            27            28            29            30 
      1   0.474314D+00 -0.399808D-01 -0.637475D-01  0.667022D+00 -0.627244D-01
      2  -0.105548D+02 -0.191035D+02  0.434369D+00 -0.758835D-01 -0.291028D+01
      3   0.605738D+01  0.315273D+01 -0.257673D+00  0.780502D+01  0.126104D+00
                31            32            33            34            35 
      1   0.591580D+00 -0.480686D-01  0.318245D+01 -0.186123D+00 -0.129416D+02
      2  -0.106835D-01 -0.719641D+00 -0.298802D+00  0.131819D+02 -0.371675D+00
      3  -0.836916D+01  0.379753D+00  0.850530D-01  0.977753D-01 -0.149907D+00
                36            37            38            39            40 
      1  -0.312083D+00  0.938971D+00 -0.148924D+01  0.998412D+01  0.694226D+01
      2   0.207514D+00 -0.840179D+01 -0.151649D+02  0.595005D+01 -0.843951D+01
      3   0.198543D+00 -0.136263D+02 -0.234954D+02  0.910921D+01 -0.789249D+00
                41            42            43            44            45 
      1   0.193950D+02 -0.464679D+01  0.164761D+02  0.220237D+02 -0.183134D+02
      2   0.564032D+01 -0.718612D+01 -0.660464D+01 -0.104523D+02  0.499173D+01
      3   0.194269D+02 -0.108451D+02  0.462371D+01 -0.396945D+01 -0.294501D+01
                46            47            48            49            50 
      1  -0.128341D+01 -0.861076D+01 -0.220904D+01 -0.185321D+02 -0.625981D+01
      2   0.189906D+02 -0.223585D+01 -0.257932D+01  0.182757D+01  0.173009D+00
      3   0.285276D+00  0.900639D+01  0.469648D+01  0.314647D+02  0.519525D+01
                51            52            53            54            55 
      1  -0.129098D+02  0.316340D+01 -0.118049D+01  0.491074D+01 -0.360807D+00
      2   0.522037D+01 -0.297738D+02  0.309035D+01 -0.184356D+02 -0.592257D+01
      3   0.130668D+02  0.841766D+00  0.604775D+01 -0.310148D+01  0.506277D+00
                56            57            58            59            60 
      1   0.240094D+01  0.110652D+01  0.283753D+01 -0.443836D+00 -0.318910D+01
      2   0.102048D+02  0.132204D+01  0.899982D+01  0.318354D+01 -0.692682D+01
      3  -0.135938D+01 -0.891947D+01  0.386665D+01  0.620183D+01 -0.353382D+01
                61            62            63            64            65 
      1   0.129529D+01  0.859576D+00  0.469836D+00  0.585263D+01 -0.279101D+01
      2   0.102117D+01 -0.627468D+01  0.155802D+01  0.101623D+02 -0.302578D+01
      3  -0.115811D+02 -0.724603D+01  0.511434D+01 -0.203916D+01 -0.592186D+01
                66            67            68            69            70 
      1   0.206748D+01 -0.393341D+01 -0.417516D+01  0.172158D+01  0.349830D+01
      2   0.635340D+01 -0.369447D+01 -0.725044D+01  0.375340D+01  0.388907D+01
      3  -0.395935D+01 -0.288381D+00 -0.442134D+01  0.881014D+01 -0.321047D+01
                71            72            73            74            75 
      1   0.360498D+01 -0.761070D+00 -0.122301D+00  0.136151D+00 -0.923212D+01
      2   0.144986D+01 -0.140717D+01 -0.141166D+02  0.107100D+02  0.169520D+01
      3   0.132740D+02 -0.507379D+01  0.177972D+02 -0.138620D+02 -0.611929D+01
                76            77            78            79            80 
      1   0.101505D+02 -0.190612D+02 -0.896545D+01 -0.184624D+02  0.142733D+02
      2   0.654521D+01  0.572114D+01  0.634238D+01 -0.138066D+02  0.124499D+02
      3   0.880180D+01 -0.230834D+02 -0.127422D+02 -0.391698D+01 -0.508755D+01
                81            82            83            84            85 
      1   0.164427D+02 -0.211377D+01  0.229659D+01 -0.578004D+00  0.912438D+00
      2   0.948699D+01 -0.126331D+02 -0.167110D+02  0.137410D+02 -0.621019D+01
      3   0.302321D+01 -0.151647D+02 -0.275807D+02  0.139478D+02 -0.530064D+01
                86            87            88            89            90 
      1   0.186156D+02  0.333082D+01  0.502148D+01  0.274207D+02 -0.163721D+02
      2   0.148268D+00 -0.211752D+01 -0.770250D+00 -0.108431D+02  0.944260D+01
      3   0.938332D+01  0.120333D+01  0.629158D+01 -0.519504D+00  0.290587D+01
                91            92            93            94            95 
      1   0.736180D+01  0.583895D+01  0.682101D+01  0.709224D+01 -0.108495D+02
      2  -0.105841D+01  0.970401D+00  0.101002D+01  0.283835D+00  0.105981D+01
      3  -0.640619D+01 -0.213198D+01 -0.569910D+01  0.308193D+01  0.171453D+00
                96            97            98            99           100 
      1  -0.344083D+01  0.534443D+01 -0.281668D+01  0.155832D+01 -0.883361D+01
      2  -0.102395D+01 -0.261154D+01 -0.282577D+00  0.276193D-01 -0.301102D+01
      3  -0.793144D+01 -0.974994D+01 -0.929005D+01 -0.520114D+01  0.579250D+01
               101           102           103           104           105 
      1   0.965830D+00 -0.569910D+01  0.185184D+01  0.118687D+02 -0.534258D+01
      2  -0.123769D+01 -0.756170D+00 -0.247686D+00  0.370582D+01 -0.116964D+00
      3  -0.808206D+00  0.745952D+01  0.466242D+01  0.680146D+00 -0.601197D+01
               106           107           108           109           110 
      1  -0.368446D+01 -0.384251D+01 -0.152288D+01  0.439723D+01  0.385068D+01
      2  -0.368366D+01 -0.142087D+01 -0.365727D+00 -0.168223D+02  0.136134D+02
      3   0.118215D+02 -0.655684D+01  0.524092D+01  0.214997D+02 -0.195998D+02
               111           112           113           114           115 
      1  -0.355688D+01  0.525340D+01 -0.169390D+02  0.196205D+01 -0.104199D+02
      2   0.123484D+02  0.274431D+01  0.913234D+00  0.651331D+01 -0.661167D+01
      3  -0.139713D+02  0.315592D+01 -0.161412D+02 -0.257082D+01 -0.573255D+01
               116           117           118           119           120 
      1   0.221038D+02  0.136225D+02  0.813674D+00  0.122113D+01 -0.144784D+01
      2   0.166403D+02  0.135359D+02  0.827024D+00  0.134384D+01 -0.516134D+00
      3  -0.231715D+01 -0.309401D+01  0.600321D+01  0.317488D+01 -0.216215D+01
               121           122           123           124           125 
      1   0.531292D+00  0.466024D+01 -0.511935D+01  0.145284D+00 -0.371726D+01
      2   0.809709D+00  0.514149D+01 -0.383954D+01 -0.166954D+01 -0.498995D+01
      3   0.390717D+01  0.127628D+02 -0.527354D+01 -0.371390D+01 -0.864459D+01
               126           127           128           129           130 
      1   0.605509D+01 -0.249677D+01  0.139922D+01  0.338613D+01  0.916750D+00
      2   0.660595D+01 -0.208003D+01  0.248869D+01  0.519979D+01  0.131772D+01
      3   0.489341D+01 -0.499411D+01 -0.246846D+01  0.450048D+00 -0.744950D+00
               131           132           133           134           135 
      1  -0.344442D+00 -0.266385D+01  0.196662D+01 -0.400335D+00 -0.410184D+01
      2  -0.140191D+01 -0.338244D+01  0.473718D+00 -0.192253D+01 -0.586759D+01
      3   0.419479D+01  0.885975D+00  0.365003D+01 -0.371291D+00  0.213598D+00
               136           137           138           139           140 
      1   0.238264D-01 -0.263501D+00 -0.158897D+00 -0.181029D+00 -0.311462D+00
      2  -0.265402D+01 -0.249211D+01  0.352289D+01 -0.336309D+01 -0.540276D+01
      3  -0.570494D+01 -0.388161D+01  0.216831D+01 -0.317048D+01 -0.128456D+02
               141           142           143           144           145 
      1  -0.107391D+01 -0.222419D+00  0.155407D+01 -0.426846D+00  0.778513D+00
      2   0.544278D+01  0.365583D+01  0.509759D+01 -0.899554D+01  0.433148D+01
      3   0.530856D+01  0.357895D+01  0.876024D+01 -0.492973D+01 -0.130385D+01
               146           147           148           149           150 
      1   0.762001D+00  0.129820D+01  0.237981D+00 -0.316687D+00 -0.564853D+00
      2  -0.462573D+00  0.734071D+01 -0.170576D+01  0.501466D-01 -0.127869D+01
      3  -0.544902D+01 -0.293419D+00 -0.374921D+01  0.208944D+01 -0.905250D+00
               151           152           153           154           155 
      1   0.137386D-01  0.150435D+01  0.127480D+01 -0.673066D+01 -0.207339D+01
      2   0.245840D+01 -0.533215D-01  0.703135D+01  0.135546D+01  0.568284D+00
      3   0.290210D+01 -0.230040D+01 -0.224709D+00  0.143686D+02  0.580973D+00
               156           157           158           159           160 
      1  -0.578335D+01 -0.112560D+01 -0.109412D+01 -0.184844D+01 -0.618835D+01
      2   0.267925D+01  0.236610D+00  0.363412D+00  0.393010D+00  0.150238D+00
      3   0.580797D+01  0.118283D+01  0.444119D+01  0.581746D+00  0.955914D+01
               161           162           163           164           165 
      1  -0.195896D+01 -0.884387D+01 -0.147701D+00 -0.291201D+00 -0.647975D+00
      2   0.120675D+01  0.194534D+01  0.631309D-01  0.531859D+00  0.375003D+00
      3   0.108040D+01  0.502176D+01  0.531141D+00  0.382308D+01 -0.960586D+00
               166           167           168           169           170 
      1   0.987741D+00  0.460064D+01 -0.751397D+01 -0.986159D+00 -0.216114D+01
      2   0.717047D+00 -0.782666D+00  0.603219D+00 -0.126124D+01  0.979503D+00
      3   0.564351D+01 -0.130548D+01 -0.279633D-01 -0.149945D+01  0.333395D+01
               171           172           173           174           175 
      1   0.712111D+01  0.649540D+01 -0.675433D+00  0.510718D+01  0.219416D+00
      2  -0.617572D+00  0.325659D+01 -0.449438D+00  0.412334D+01  0.101782D+00
      3   0.262137D+00 -0.140872D+02 -0.155072D+01 -0.565481D+01 -0.104921D+01
               176           177           178           179           180 
      1   0.151339D+00 -0.462677D+00  0.605631D+01 -0.244152D+00  0.801375D+01
      2   0.432829D+00  0.205816D+00  0.205644D+01 -0.118495D+01  0.412690D+01
      3  -0.372456D+01 -0.767492D+00 -0.934837D+01 -0.100531D+01 -0.492731D+01
               181           182           183           184           185 
      1  -0.372601D+00  0.832007D+00  0.230094D+01  0.216970D+01 -0.366083D+01
      2   0.243725D+00 -0.586021D-01  0.114169D+01  0.120487D+00 -0.203018D+01
      3  -0.272285D+01  0.289145D+01  0.957064D+00  0.461948D+01  0.351888D+01
               186           187           188           189           190 
      1  -0.675016D+01  0.168019D+01 -0.148771D+01 -0.671211D+01  0.973805D+00
      2  -0.227080D+01 -0.551555D+00 -0.170227D+01 -0.240390D+01 -0.370054D+01
      3   0.183361D+00  0.562467D+00  0.362264D+01 -0.238598D+00  0.732990D+01
               191           192           193           194           195 
      1  -0.116194D+01 -0.831282D+00 -0.141609D+01  0.923350D+00  0.750298D-01
      2   0.292372D+01  0.476663D+01  0.400879D+01 -0.317131D+01 -0.429474D+01
      3  -0.549907D+01 -0.355662D+01 -0.509459D+01  0.998075D+01  0.434934D+01
               196           197           198           199           200 
      1  -0.157560D+01  0.239379D+01  0.264560D+01 -0.182137D+01  0.586849D-01
      2   0.493823D+01 -0.313181D+01 -0.850483D+01  0.317630D+01  0.140349D+01
      3  -0.616440D+01  0.726797D+01  0.473425D+01  0.332816D+01 -0.397441D+01
               201           202           203           204           205 
      1  -0.278852D+01 -0.784306D+00  0.193408D+00 -0.160416D+01 -0.975467D+00
      2   0.623933D+01  0.253718D+01  0.106230D+01  0.275063D+01  0.213895D+01
      3   0.558881D+00 -0.225994D+01 -0.405934D+01 -0.868442D+00 -0.219022D+01
               206           207           208           209           210 
      1   0.128396D+01 -0.304836D+01 -0.188352D+01  0.257145D+01  0.295943D+01
      2   0.952274D+00  0.651159D+01  0.117670D+01 -0.172502D+01 -0.753353D+00
      3  -0.303252D+01  0.276240D+00 -0.806450D+01  0.448890D+01  0.351016D+01
               211           212           213           214           215 
      1   0.176955D+01 -0.495117D+01 -0.533184D+01  0.149918D+01 -0.465033D+01
      2  -0.135466D+01  0.315666D+01  0.230081D+01 -0.259251D+01  0.335165D+01
      3   0.518019D+01 -0.104605D+02 -0.451983D+01  0.588231D+01 -0.746058D+01
               216           217           218           219           220 
      1  -0.756225D+01  0.208889D+01  0.241202D+01 -0.352641D+01  0.158745D+01
      2   0.487003D+01 -0.693398D+00 -0.197742D+01  0.333865D+01 -0.883195D+00
      3  -0.490444D+01  0.515888D+01 -0.627979D-01 -0.655107D+00  0.169837D+01
               221           222           223           224           225 
      1   0.160629D+01 -0.448960D+01 -0.165995D+01 -0.134878D+01  0.552537D+01
      2  -0.200876D+01  0.355820D+01 -0.572297D+00  0.165975D+01 -0.470328D+01
      3  -0.439604D+01  0.709282D+00 -0.349957D+01 -0.137890D+01 -0.262424D+00
               226           227           228           229           230 
      1   0.518982D+00  0.457416D+01  0.859703D-01  0.938950D+00 -0.167618D+01
      2  -0.638145D+01  0.513378D+01 -0.269376D+01  0.385062D+01 -0.374073D+01
      3  -0.801542D+01  0.716439D+01 -0.436722D+01  0.585319D+01 -0.548000D+01
               231           232           233           234           235 
      1  -0.117144D+01  0.127644D+01 -0.647538D+00  0.125319D+01  0.215353D+01
      2   0.279014D+01 -0.235403D+01  0.145739D+01 -0.242873D+01  0.699128D+00
      3   0.301839D+01 -0.934082D+00  0.141291D+01 -0.290946D+01  0.172836D+01
               236           237           238           239           240 
      1  -0.125316D+01 -0.360252D+01 -0.234647D+01 -0.143841D+01  0.545320D+01
      2   0.241513D+00  0.466327D+00 -0.154830D+01 -0.150348D+01 -0.108378D+00
      3  -0.124521D+01 -0.209074D+01 -0.207634D+01 -0.267405D+01  0.258743D+01
               241           242           243           244           245 
      1  -0.281567D+01  0.119179D+01  0.117966D+02 -0.163341D+01  0.285563D+01
      2  -0.177490D+01 -0.154023D+00 -0.273933D+01  0.316184D+00  0.451671D+00
      3  -0.243551D+01 -0.229173D+00  0.259305D+01  0.235231D+01 -0.440752D+01
               246           247           248           249           250 
      1  -0.158492D+01  0.485863D+01 -0.750698D+01  0.316322D+01 -0.750714D+00
      2   0.159837D+01  0.356622D+01  0.144129D+01 -0.127393D+01  0.440546D+00
      3   0.171877D+01 -0.553453D+01  0.984814D+01 -0.510306D+01  0.121948D+01
               251           252           253           254           255 
      1   0.262205D+01 -0.201570D+01 -0.217635D+01 -0.119115D+01 -0.116695D+01
      2  -0.199084D+01  0.182602D+01 -0.160236D+01 -0.937310D+00 -0.418547D+01
      3  -0.183470D+01  0.290402D+01  0.321405D+01  0.751789D+00  0.196120D+01
               256           257           258           259           260 
      1   0.872755D+00  0.158500D+01  0.814522D+00  0.495334D+00  0.242634D+01
      2  -0.330301D+00  0.243855D+01  0.485269D+01 -0.515885D+00  0.248235D+01
      3  -0.129453D+00 -0.221566D+01 -0.269125D+01 -0.899524D+00 -0.229136D+01
               261           262           263           264           265 
      1   0.498335D+00 -0.506925D+01 -0.276700D+01  0.388716D+01 -0.196306D+01
      2   0.120912D+02  0.659996D+01 -0.454331D+00 -0.123048D+01  0.329420D+01
      3  -0.260419D+01 -0.108819D+02 -0.286913D+01  0.510549D+01 -0.403073D+01
               266           267           268           269           270 
      1  -0.247611D+01  0.641030D+00  0.292778D+01  0.170883D+01 -0.267050D+01
      2  -0.171930D+01 -0.115152D+01 -0.533549D+00 -0.273715D+00  0.341194D-01
      3  -0.961557D+00  0.252337D+01  0.223279D+01  0.526784D+00 -0.278322D+01
               271           272           273           274           275 
      1  -0.856934D+00  0.409277D+00 -0.354731D+01 -0.608182D+00 -0.212606D+00
      2  -0.687479D+00 -0.371640D+01 -0.550364D+01 -0.179422D+01  0.478082D+00
      3  -0.153604D+00  0.317251D+01  0.331539D+01  0.230176D+01 -0.853533D+00
               276           277           278           279           280 
      1  -0.559319D+00 -0.553896D+00  0.472956D+00 -0.826342D+01  0.426479D+01
      2  -0.161763D+00 -0.248139D+01 -0.241187D+01 -0.885306D+01  0.865481D+01
      3   0.497958D+00  0.101986D+01  0.222996D+01  0.258788D+01  0.126727D+02
               281           282           283           284           285 
      1  -0.251446D+01 -0.339509D+01 -0.772250D+00  0.194806D+01 -0.581101D+00
      2   0.167502D+01 -0.204797D+01 -0.151117D+01 -0.129836D+01  0.534444D+00
      3  -0.548573D+00 -0.518412D+01 -0.147507D+01  0.101827D+00  0.100218D+01
               286           287           288           289           290 
      1  -0.299048D+01  0.834155D+00  0.257487D+01  0.129954D+01 -0.250391D+00
      2  -0.129947D+01  0.291869D+00  0.807384D+00 -0.156420D+01  0.310871D+01
      3  -0.213653D+01 -0.150758D+00  0.287699D+01 -0.104191D+01  0.264985D+01
               291           292           293           294           295 
      1   0.481063D+01 -0.771730D+00 -0.341112D+00  0.686692D+00  0.114893D+01
      2  -0.423844D+01  0.108590D+01  0.179635D+01 -0.109329D+01 -0.282522D+01
      3  -0.328987D+01  0.180837D+01  0.215041D+01 -0.331702D+00 -0.156300D+01
               296           297           298           299           300 
      1   0.150112D+00  0.102070D+02 -0.156673D-01  0.684901D+00  0.535270D+00
      2   0.181860D+01 -0.645938D+01  0.136446D+01 -0.217519D+00  0.136242D+01
      3   0.194331D+01 -0.260160D+01 -0.754774D+00 -0.145657D+01 -0.589480D+00
               301           302           303           304           305 
      1   0.309221D+01  0.957638D+01  0.257790D+01  0.241261D+00  0.187313D+01
      2  -0.272738D+01  0.270362D+01  0.248248D+01 -0.807919D-01  0.267160D+01
      3  -0.203721D+01 -0.132534D+02 -0.480389D+01 -0.935610D+00 -0.170216D+01
               306           307           308           309           310 
      1   0.159002D+01  0.239285D+01 -0.172620D+00  0.162856D+01  0.193127D+01
      2   0.227618D+01 -0.110660D+01 -0.182503D+00 -0.248416D+01 -0.269404D+00
      3  -0.306840D+01 -0.304615D+01 -0.658244D+00 -0.123514D+01 -0.149157D+01
               311           312           313           314           315 
      1  -0.203089D+01  0.252830D+01 -0.107216D+01  0.280383D+01 -0.352197D+01
      2   0.209505D+01 -0.533410D+01 -0.207216D+00 -0.190421D+01  0.115493D+02
      3   0.207492D+01 -0.313074D+01  0.139825D+01 -0.201538D+01  0.259787D+01
               316           317           318           319           320 
      1  -0.907649D+00  0.469316D+01  0.705470D+00  0.101847D+01  0.429527D+01
      2  -0.414045D+01 -0.381697D+01 -0.177134D+01 -0.371622D+01 -0.512321D+01
      3   0.434511D+01  0.651113D+01  0.342043D+01  0.555277D+01  0.871460D+01
               321           322           323           324           325 
      1  -0.279970D+00 -0.400731D+00 -0.252626D+00 -0.612955D+00 -0.103076D+01
      2  -0.355571D+01 -0.234341D+01 -0.234946D+01 -0.267056D+01 -0.396154D-01
      3   0.399203D+01  0.872070D+00  0.189567D+01  0.291389D+01 -0.587021D+00
               326           327           328           329           330 
      1  -0.184822D+01  0.192885D+01 -0.341463D+01  0.593653D+00  0.592873D+01
      2  -0.311146D+00  0.966724D+00  0.115507D+01 -0.929474D+00  0.179701D+01
      3  -0.206278D+01  0.137462D+01 -0.290268D+01  0.161143D+01  0.303666D+01
               331           332           333 
      1   0.280473D+01  0.188846D+01 -0.107022D+02
      2  -0.110067D+01  0.173856D+00 -0.563639D+01
      3   0.244484D+01  0.413533D+00 -0.260300D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.339237D+01 -0.236396D+01 -0.447380D+00 -0.331664D+00  0.411460D+01
      2  -0.336596D+01 -0.106713D+01  0.132204D+02  0.242398D+00 -0.100299D+02
      3  -0.264101D-01  0.343109D+01 -0.127730D+02  0.892668D-01  0.591533D+01
      4  -0.613693D+01 -0.135439D+02  0.178780D+02 -0.813665D+01 -0.131000D+02
      5   0.674020D+01  0.138863D+02 -0.342149D+01  0.138086D+02  0.540339D+01
      6   0.942828D+01  0.173113D+02 -0.756824D+00  0.166607D+02  0.660931D+00
                 6             7             8             9            10 
      1   0.152612D+02 -0.382532D+01  0.161017D+02  0.702614D+01 -0.179571D+02
      2  -0.930522D+01  0.155488D+02 -0.101788D+02 -0.108990D+02  0.116585D+02
      3  -0.595601D+01 -0.117235D+02 -0.592291D+01  0.387291D+01  0.629857D+01
      4   0.143698D+02  0.213288D+02  0.200669D+02 -0.804580D+01 -0.121567D+02
      5  -0.813102D+01 -0.325021D+01 -0.101177D+02  0.197379D+01 -0.128150D+02
      6  -0.958516D+01 -0.253380D+01 -0.144434D+02  0.142580D+01 -0.942763D+01
                11            12            13            14            15 
      1  -0.870392D+00 -0.536257D+01 -0.470670D+01 -0.382344D+01 -0.206047D+02
      2   0.265092D+01 -0.370102D+01  0.305738D+01  0.438024D+01  0.988569D+01
      3  -0.178053D+01  0.906359D+01  0.164932D+01 -0.556802D+00  0.107190D+02
      4  -0.438174D+01 -0.209346D+02 -0.956448D+01  0.112019D+01 -0.652072D+01
      5  -0.189310D+02 -0.112104D+02 -0.196853D+02 -0.398706D-01  0.148625D+01
      6  -0.742154D+01 -0.592255D+01 -0.725330D+01  0.451575D+00 -0.158213D+01
                16            17            18            19            20 
      1  -0.816035D+01 -0.236190D+02 -0.136726D+02  0.646496D+01  0.179529D+01
      2  -0.470860D+00  0.139496D+02  0.985708D+01 -0.455335D+01 -0.610141D+01
      3   0.863121D+01  0.966949D+01  0.381553D+01 -0.191162D+01  0.430613D+01
      4  -0.264119D+02 -0.646635D+01 -0.220862D+01  0.146913D+02 -0.723100D+00
      5  -0.167172D+02  0.131479D+01 -0.172040D+01  0.873150D+01  0.110717D+02
      6  -0.627470D+01 -0.714736D+00 -0.143603D+01  0.349954D+01 -0.610069D+00
                21            22            23            24            25 
      1   0.276570D+01  0.403029D+01 -0.342226D+01  0.115210D+02 -0.683531D+00
      2  -0.159714D+01 -0.527189D+01  0.312313D+01 -0.165294D+01 -0.603215D+00
      3  -0.116856D+01  0.124161D+01  0.299129D+00 -0.986803D+01  0.128675D+01
      4   0.127343D+02  0.340546D+01  0.669635D+01  0.101875D+01  0.655382D+01
      5   0.555606D+01  0.103891D+02 -0.412881D+01  0.115025D+01  0.324773D+01
      6   0.407680D+01 -0.163000D+01  0.145814D+01 -0.254608D+01  0.261053D+01
                26            27            28            29            30 
      1   0.101531D+02  0.657908D+01 -0.116899D+02  0.195899D+00  0.504294D+01
      2  -0.246910D+01  0.752349D+00  0.174214D+01 -0.849476D-01 -0.500836D+01
      3  -0.768396D+01 -0.733143D+01  0.994775D+01 -0.110951D+00 -0.345851D-01
      4  -0.164105D+00 -0.496256D+00  0.245465D+00 -0.650350D+01  0.217960D+01
      5  -0.832880D+00 -0.333511D+01  0.293044D+01  0.130965D+01 -0.190717D+01
      6  -0.178985D+01 -0.549565D+01  0.114343D+01 -0.289855D+01 -0.462476D-01
                31            32            33            34            35 
      1  -0.340507D+00  0.189094D+01  0.190523D+01  0.738028D+01  0.308123D+01
      2   0.281447D+00 -0.119823D+02 -0.188698D+01 -0.737050D+01 -0.310100D+01
      3   0.590601D-01  0.100914D+02 -0.182529D-01 -0.977910D-02  0.197653D-01
      4  -0.674924D+01 -0.835669D-01 -0.508800D+01  0.320606D+01 -0.737816D+01
      5   0.102955D+01 -0.291166D+01 -0.453999D-01  0.486067D+01 -0.302497D-01
      6  -0.297707D+01 -0.102791D+01 -0.196433D+01 -0.400467D-01  0.487786D+01
                36            37            38            39            40 
      1   0.370252D+00  0.364435D+01 -0.289019D+01 -0.110241D+01 -0.591862D+01
      2   0.384314D+00 -0.520375D+01  0.260197D+01 -0.873868D+01  0.264873D+01
      3  -0.754566D+00  0.155940D+01  0.288223D+00  0.984109D+01  0.326990D+01
      4   0.122323D-01  0.681538D+01  0.772066D+01 -0.735006D+01  0.394083D+01
      5   0.147520D-01 -0.158066D+01 -0.233294D+01 -0.635137D+00 -0.345261D+01
      6   0.499946D-01 -0.191720D+01 -0.120584D+02  0.290007D+01 -0.124023D+02
                41            42            43            44            45 
      1   0.619717D+01 -0.507658D+01  0.889608D+00 -0.311825D+01  0.920271D+00
      2  -0.292157D+01  0.653778D+01 -0.801022D+01  0.626429D+01  0.648261D+01
      3  -0.327560D+01 -0.146120D+01  0.712061D+01 -0.314604D+01 -0.740288D+01
      4   0.132487D+02 -0.105821D+02 -0.497828D+01 -0.486084D+01  0.125398D+01
      5  -0.446922D+01  0.578877D+01 -0.896587D+00  0.382651D+01  0.613822D+01
      6  -0.124497D+01  0.368010D+01  0.474218D+00  0.262554D+01  0.165872D+01
                46            47            48            49            50 
      1   0.141053D+02  0.248239D+01  0.114911D+02 -0.165484D+01 -0.711640D-01
      2  -0.136443D+02  0.199575D+01 -0.786278D+01  0.313372D+01  0.118665D+01
      3  -0.460969D+00 -0.447814D+01 -0.362828D+01 -0.147888D+01 -0.111549D+01
      4  -0.964773D+01 -0.317140D+01 -0.912985D+01  0.302961D-01 -0.803547D+01
      5   0.137353D+02 -0.609870D+01  0.649367D+01 -0.515783D+01 -0.760735D+01
      6   0.659212D+00 -0.268395D+01 -0.174487D+01 -0.348283D+01 -0.415992D+01
                51            52            53            54            55 
      1  -0.867742D+01  0.532838D+01 -0.854396D+01  0.619157D+01 -0.240981D+02
      2  -0.546318D+00 -0.453828D+01  0.829668D+00  0.108777D+01  0.179808D+02
      3   0.922373D+01 -0.790099D+00  0.771429D+01 -0.727934D+01  0.611729D+01
      4  -0.485557D+01 -0.490341D+01 -0.455785D+01  0.178277D+01  0.538839D+01
      5   0.117504D+01  0.369384D+01  0.208095D+01 -0.440381D+01 -0.239871D+02
      6  -0.338064D+01 -0.119666D+01 -0.197380D+01  0.450885D+01  0.655713D+01
                56            57            58            59            60 
      1  -0.290581D+01 -0.206079D+02  0.353374D+01 -0.111170D+01  0.170787D+02
      2  -0.458601D+00  0.913523D+01 -0.348099D+01  0.113181D+01 -0.907606D+01
      3   0.336441D+01  0.114727D+02 -0.527561D-01 -0.201137D-01 -0.800264D+01
      4  -0.141884D+01  0.168702D+02 -0.440949D+01 -0.484282D+01  0.638646D+01
      5   0.140105D+02 -0.120641D+02  0.144980D+02  0.935089D+01 -0.409314D+01
      6  -0.453458D+00  0.324932D+01 -0.223831D+00 -0.108829D+01 -0.112476D+01
                61            62            63            64            65 
      1  -0.259635D+02  0.182781D+02 -0.132011D+02 -0.328167D+01  0.916845D+01
      2   0.152437D+02 -0.111765D+02  0.935396D+01  0.201586D+01 -0.448728D+01
      3   0.107198D+02 -0.710158D+01  0.384715D+01  0.126581D+01 -0.468117D+01
      4   0.194436D+02  0.892347D+01 -0.368738D+01  0.123978D+02 -0.121057D+02
      5  -0.169235D+02 -0.542058D+01 -0.205607D+01  0.173248D+02 -0.145318D+02
      6   0.208296D+01 -0.607463D+00  0.947091D+00 -0.131976D+02  0.948861D+01
                66            67            68            69            70 
      1   0.141952D+02  0.418559D+01  0.218952D+00 -0.177031D+02  0.136561D+02
      2  -0.358559D+00 -0.282145D+01 -0.488627D+01  0.151527D+02 -0.919708D+00
      3  -0.138366D+02 -0.136414D+01  0.466731D+01  0.255039D+01 -0.127364D+02
      4  -0.198489D+02 -0.776677D+01  0.991874D+01  0.147714D+01 -0.253291D+02
      5  -0.592280D+01 -0.144273D+02 -0.307783D+01  0.903819D+01 -0.697946D+01
      6   0.164636D+01  0.894523D+01  0.649394D+01 -0.701118D+01  0.442035D+01
                71            72            73            74            75 
      1  -0.213792D+02  0.188421D+01  0.604082D+01 -0.283133D+01 -0.750967D+01
      2   0.186455D+02 -0.570151D+01 -0.815830D+01  0.176825D+01 -0.169016D+01
      3   0.273366D+01  0.381729D+01  0.211747D+01  0.106308D+01  0.919983D+01
      4   0.458340D+01  0.111986D+02 -0.732550D+01  0.864346D+01  0.960005D+01
      5   0.118202D+02  0.211923D+01 -0.511130D+01  0.520879D+01  0.171256D+01
      6  -0.104773D+02 -0.811422D+00  0.689532D+01 -0.928372D+01 -0.337060D+01
                76            77            78            79            80 
      1   0.188474D+01  0.121151D+02  0.781029D+01 -0.311522D+01  0.423211D+01
      2  -0.461212D-01 -0.833593D+01 -0.117347D+02 -0.299075D+01 -0.918986D+01
      3  -0.183862D+01 -0.377920D+01  0.392440D+01  0.610597D+01  0.495774D+01
      4   0.585939D+01 -0.551037D+01 -0.398909D+01  0.639789D+01 -0.276286D+00
      5   0.630139D+01 -0.156628D+01 -0.626893D+01  0.340998D+00 -0.441435D+01
      6  -0.931284D+01 -0.528313D+01  0.124184D+01 -0.105476D+01  0.122203D+01
                81            82            83            84            85 
      1   0.189062D+01 -0.290839D+01 -0.868148D+00  0.641295D+01 -0.353312D+01
      2   0.548041D+01  0.554730D+01  0.165443D+01  0.158900D+01  0.736973D+01
      3  -0.737102D+01 -0.263891D+01 -0.786285D+00 -0.800195D+01 -0.383661D+01
      4  -0.237898D+01 -0.793366D+01  0.705441D+00  0.674334D+01 -0.739728D+00
      5   0.637913D+01  0.759943D+01  0.146204D+01 -0.277158D+01  0.888127D+00
      6  -0.104533D+00  0.730279D+01 -0.146373D+01  0.363908D+01 -0.410326D+00
                86            87            88            89            90 
      1  -0.162397D+02  0.967995D+01  0.396287D+01  0.544438D+01  0.248874D+01
      2   0.152807D+02 -0.157173D+02  0.343654D+01 -0.836062D+01  0.490171D+01
      3   0.959002D+00  0.603735D+01 -0.739940D+01  0.291624D+01 -0.739045D+01
      4  -0.744476D+00  0.126249D+01  0.640028D+01  0.990430D-01  0.277732D+01
      5  -0.570445D+01  0.784728D+00 -0.129507D+01  0.146328D+00 -0.318728D+01
      6  -0.140163D+02  0.581645D+01  0.347296D+01  0.301696D+01  0.547582D+01
                91            92            93            94            95 
      1  -0.182507D+01  0.217329D+00 -0.191847D+00  0.384879D+01  0.183777D+02
      2   0.666710D+00 -0.148453D+01 -0.453478D+01 -0.841657D+01 -0.233248D+02
      3   0.115836D+01  0.126720D+01  0.472662D+01  0.456778D+01  0.494718D+01
      4  -0.574242D+01 -0.201669D+01 -0.135152D+02 -0.157552D+01 -0.497809D+01
      5  -0.302160D+01 -0.277908D+01 -0.214596D+01 -0.246617D+01  0.180563D+01
      6  -0.139116D+02 -0.351382D+01 -0.686004D+01 -0.314158D+01  0.298555D+02
                96            97            98            99           100 
      1  -0.163492D+02 -0.140081D+01 -0.228823D+02  0.592270D+01 -0.303533D+01
      2   0.297125D+02 -0.260688D+01  0.352475D+02 -0.978421D+01  0.113913D+00
      3  -0.133633D+02  0.400769D+01 -0.123653D+02  0.386151D+01  0.292142D+01
      4  -0.355468D+01 -0.159629D+02 -0.204840D+01 -0.906288D+01  0.674862D+01
      5   0.504301D+00 -0.255735D+01 -0.186685D+01 -0.387031D+00 -0.708772D+01
      6  -0.110008D+02 -0.946355D+01 -0.149186D+02  0.229307D+01  0.112554D+02
               101           102           103           104           105 
      1  -0.320014D+01 -0.107235D+02 -0.660298D+01  0.115768D+02  0.126120D+02
      2   0.489114D+01  0.954497D+01  0.117634D+02 -0.147036D+02 -0.265713D+02
      3  -0.169100D+01  0.117853D+01 -0.516044D+01  0.312682D+01  0.139593D+02
      4  -0.421735D+01  0.103109D+02 -0.653037D+01  0.123076D+02  0.110341D+02
      5  -0.689311D+00 -0.424544D+01 -0.117905D+01  0.971369D+01  0.120157D+01
      6   0.775215D+01  0.863554D+01  0.797945D+01 -0.266884D+02 -0.878017D+01
               106           107           108           109           110 
      1  -0.141269D+02  0.170692D+02  0.458358D+00 -0.763802D+01  0.232272D+01
      2   0.133834D+02 -0.300275D+02 -0.431380D+01  0.111931D+02 -0.192717D+01
      3   0.743467D+00  0.129583D+02  0.385544D+01 -0.355504D+01 -0.395556D+00
      4   0.105293D+02  0.157278D+02  0.117828D+02  0.327022D+01  0.410009D+01
      5  -0.615022D+01  0.417349D+01  0.227208D+00  0.853248D+01  0.370226D+01
      6   0.118116D+02 -0.113491D+02 -0.231066D+01 -0.340910D+01 -0.584999D+01
               111           112           113           114           115 
      1   0.113399D+02  0.479109D+01 -0.132340D+02 -0.587579D+01  0.777411D+01
      2  -0.513802D+01 -0.750144D+01  0.114793D+02  0.138212D+02 -0.146313D+01
      3  -0.620186D+01  0.271035D+01  0.175471D+01 -0.794544D+01 -0.631098D+01
      4  -0.308730D+01  0.473221D+01 -0.546223D+01 -0.611006D+01 -0.449890D+01
      5  -0.103804D+01  0.387838D+01 -0.821339D+01 -0.252716D+01 -0.914671D-01
      6  -0.551042D+01 -0.465868D+01  0.102698D+02  0.413852D+01 -0.427721D+01
               116           117           118           119           120 
      1  -0.270669D+01  0.404657D+01 -0.403164D+01 -0.703483D+01  0.182275D+01
      2   0.738727D+01  0.333484D+01  0.488983D+01  0.654797D+01 -0.290354D+01
      3  -0.468058D+01 -0.738140D+01 -0.858182D+00  0.486852D+00  0.108079D+01
      4  -0.455150D+01 -0.297714D+01 -0.200598D+01  0.355792D+01  0.124980D+00
      5  -0.810085D+00 -0.159374D+01  0.482023D+00  0.137836D+01  0.658159D+00
      6   0.180279D+01 -0.615299D+01 -0.181416D+01 -0.220479D+01  0.134578D+01
               121           122           123           124           125 
      1  -0.578223D+01 -0.151944D+02  0.663949D+01  0.369492D+01  0.109174D+02
      2   0.160036D+01  0.281503D+02 -0.967581D+01 -0.168223D+01 -0.149956D+02
      3   0.418187D+01 -0.129559D+02  0.303632D+01 -0.201270D+01  0.407821D+01
      4   0.849054D+01 -0.201071D+02  0.532582D+01 -0.250667D+01  0.104903D+02
      5   0.182923D+00  0.656495D+01 -0.641278D+01  0.304025D+01 -0.873937D+01
      6  -0.686940D+00 -0.104532D+02  0.900637D+01 -0.127135D+01  0.121066D+02
               126           127           128           129           130 
      1  -0.628779D+01  0.343122D+02 -0.131663D+02 -0.107393D+02 -0.718100D+01
      2   0.744047D+01 -0.136889D+02  0.872259D+00  0.444002D+01 -0.347780D+01
      3  -0.115268D+01 -0.206233D+02  0.122940D+02  0.629925D+01  0.106588D+02
      4  -0.731269D+01 -0.332850D+02  0.231449D+02  0.138775D+02  0.222108D+02
      5   0.922344D+01 -0.202665D+02  0.112698D+02  0.141928D+02  0.917999D+01
      6  -0.113269D+02  0.105123D+02 -0.688038D+01 -0.720601D+01 -0.756659D+01
               131           132           133           134           135 
      1   0.435354D+01  0.267612D+01 -0.136197D+02  0.613431D+01  0.626994D+01
      2   0.702057D+01  0.108688D+01  0.624853D+01 -0.119536D+01 -0.396715D+01
      3  -0.113741D+02 -0.376300D+01  0.737112D+01 -0.493895D+01 -0.230279D+01
      4  -0.234154D+02 -0.103606D+02  0.197947D+02 -0.157997D+02 -0.155251D+02
      5  -0.912877D+01 -0.756343D+01  0.192809D+02 -0.131578D+02 -0.182079D+02
      6   0.747459D+01  0.775437D+01 -0.109883D+02  0.110660D+02  0.118403D+02
               136           137           138           139           140 
      1   0.222644D+02  0.861955D+01 -0.460174D+01  0.151413D+02  0.739934D+01
      2  -0.128596D+02 -0.445574D+01  0.310484D+01 -0.737162D+01 -0.287455D+01
      3  -0.940485D+01 -0.416380D+01  0.149690D+01 -0.776971D+01 -0.452479D+01
      4   0.780506D+01  0.708259D+01 -0.406099D+01  0.100226D+02  0.181895D+02
      5  -0.551292D+01 -0.421523D+01  0.741667D+01 -0.601823D+01 -0.843717D+01
      6  -0.136003D+01 -0.759173D+00  0.256400D+00 -0.991327D+00 -0.229167D+01
               141           142           143           144           145 
      1  -0.522472D+01 -0.114090D+02 -0.642680D+01  0.787671D+01  0.646407D+02
      2   0.239403D+01  0.704981D+01  0.500134D+01 -0.675780D+01 -0.371714D+02
      3   0.283069D+01  0.435914D+01  0.142545D+01 -0.111891D+01 -0.274693D+02
      4  -0.744770D+01 -0.716408D+01 -0.110828D+02  0.684100D+01 -0.161027D+02
      5   0.800748D+01  0.125292D+02  0.827948D+01 -0.145985D+02  0.290638D+02
      6   0.227915D+01  0.759479D+00  0.254909D+01 -0.144258D+01 -0.625806D+01
               146           147           148           149           150 
      1  -0.650067D+01  0.206428D+02 -0.827027D+01  0.794276D+01 -0.353610D+01
      2   0.261388D+01 -0.135408D+02  0.275007D+01 -0.336936D+01  0.167497D+01
      3   0.388679D+01 -0.710193D+01  0.552019D+01 -0.457340D+01  0.186113D+01
      4   0.101754D+02 -0.609270D+01  0.153421D+02 -0.707857D+01  0.481620D+01
      5  -0.465345D+01  0.183945D+02 -0.569100D+01  0.440058D+01 -0.311921D+01
      6   0.192648D+01 -0.347183D+01  0.389177D+01 -0.194986D+01  0.362036D+01
               151           152           153           154           155 
      1   0.293525D+02 -0.381510D+01  0.166534D+02  0.614732D+01 -0.439430D+01
      2  -0.206943D+02  0.204177D+01 -0.143469D+02  0.165903D+01  0.126418D+02
      3  -0.865820D+01  0.177333D+01 -0.230649D+01 -0.780635D+01 -0.824752D+01
      4  -0.982784D+01  0.446354D+01 -0.522478D+01  0.241981D+02  0.118951D+02
      5   0.272120D+02 -0.309531D+01  0.212099D+02  0.552164D+01  0.172629D+01
      6  -0.530382D+01  0.312715D+01 -0.459328D+01  0.984731D+01  0.416815D+01
               156           157           158           159           160 
      1   0.179309D+01 -0.365962D+01 -0.523455D+01 -0.104956D+01  0.954314D+00
      2   0.131503D+01  0.829420D+01  0.113416D+02  0.167872D+01  0.148485D+01
      3  -0.310812D+01 -0.463458D+01 -0.610707D+01 -0.629160D+00 -0.243917D+01
      4   0.956847D+01  0.686935D+01  0.102818D+02  0.285214D+01  0.148990D+02
      5   0.480792D+01  0.974251D+00  0.182279D+01  0.893115D+00  0.561058D+01
      6   0.884439D+01  0.236722D+01  0.280475D+01  0.483528D+01  0.102843D+02
               161           162           163           164           165 
      1  -0.249042D+01 -0.223280D+01 -0.406439D+01  0.354376D+00  0.145379D+00
      2   0.622463D+01  0.333099D+01  0.778086D+01  0.631736D+00 -0.237357D+00
      3  -0.373421D+01 -0.109820D+01 -0.371647D+01 -0.986112D+00  0.919774D-01
      4   0.690886D+01  0.971096D+01  0.212280D+01  0.130459D+02 -0.366901D+01
      5   0.259869D+01  0.529075D+01 -0.176006D+00 -0.265901D+01  0.297934D+01
      6   0.948671D+01  0.137663D+02 -0.358652D+01 -0.641467D+00  0.110708D+01
               166           167           168           169           170 
      1  -0.217592D+01 -0.403278D+02  0.147292D+02  0.210157D+01  0.223968D+02
      2   0.474818D+01  0.685695D+02 -0.220642D+02 -0.269252D+01 -0.311859D+02
      3  -0.257227D+01 -0.282417D+02  0.733501D+01  0.590947D+00  0.878905D+01
      4   0.910981D+01  0.666525D+01 -0.256519D+01 -0.344953D+01 -0.349072D+01
      5  -0.101338D+01 -0.728760D+00  0.740695D+00  0.267129D+01  0.139015D+01
      6  -0.212780D+01 -0.308226D+02  0.190033D+02  0.362981D+01  0.276283D+02
               171           172           173           174           175 
      1  -0.148239D+02  0.173221D+02  0.147848D+01  0.630337D+01  0.357563D+01
      2   0.171161D+02 -0.643535D+01 -0.831293D+01 -0.308973D+01 -0.684621D+01
      3  -0.229226D+01 -0.108868D+02  0.683445D+01 -0.321363D+01  0.327058D+01
      4   0.339558D+01 -0.252898D+02  0.110997D+02 -0.878565D+01  0.564839D+01
      5  -0.115661D+01  0.851079D+01 -0.126692D+01  0.716366D+01 -0.883244D-01
      6  -0.216536D+02 -0.909261D+01  0.184989D+01 -0.819769D+01  0.371079D+00
               176           177           178           179           180 
      1   0.379868D+00  0.945793D+00  0.826208D+01  0.323815D+00  0.278142D+01
      2   0.287484D+01 -0.800959D+00 -0.487379D+01 -0.329408D+01 -0.165637D+01
      3  -0.325471D+01 -0.144834D+00 -0.338829D+01  0.297027D+01 -0.112505D+01
      4  -0.801907D+01  0.107608D+01 -0.147813D+02  0.453438D+01 -0.978930D+01
      5   0.160974D+01 -0.369470D+00  0.895669D+01 -0.284421D+01  0.855362D+01
      6  -0.125433D+01  0.252189D+01 -0.103525D+02  0.612295D+01 -0.119307D+02
               181           182           183           184           185 
      1  -0.171307D+01  0.512446D+00  0.117809D+01  0.469312D+01 -0.306218D+02
      2   0.792897D+01 -0.723523D+01 -0.311155D+01 -0.130848D+02  0.564761D+02
      3  -0.621591D+01  0.672279D+01  0.193346D+01  0.839173D+01 -0.258543D+02
      4  -0.117782D+02  0.169048D+02  0.600857D+01  0.151656D+02 -0.256407D+02
      5  -0.262011D+01  0.425436D+01  0.445401D+01  0.309812D+01 -0.699542D+01
      6   0.552987D+01 -0.622724D+01 -0.491804D+01 -0.815130D+01  0.274899D+02
               186           187           188           189           190 
      1  -0.111260D+02  0.449455D+01 -0.166302D+02 -0.110993D+02  0.309763D+02
      2   0.181964D+02 -0.730638D+01  0.250020D+02  0.134141D+02 -0.188706D+02
      3  -0.707043D+01  0.281183D+01 -0.837177D+01 -0.231481D+01 -0.121057D+02
      4  -0.100866D+02  0.813239D+01 -0.146615D+02 -0.108167D+02 -0.343382D+00
      5  -0.455667D+01  0.550771D+01 -0.723254D+01 -0.661826D+01 -0.825699D+01
      6   0.175063D+02 -0.944293D+01  0.247883D+02  0.206156D+02 -0.346864D+00
               191           192           193           194           195 
      1  -0.671518D+01 -0.778253D+01 -0.139257D+02  0.946025D+01  0.688700D+01
      2   0.472374D+01  0.576167D+01  0.839763D+01 -0.723714D+01 -0.431320D+01
      3   0.199144D+01  0.202086D+01  0.552802D+01 -0.222310D+01 -0.257380D+01
      4   0.644219D+01  0.288719D+01  0.692979D+01 -0.103312D+02 -0.377424D+01
      5   0.439158D+01  0.908593D+01  0.637641D+01 -0.581578D+01 -0.605438D+01
      6   0.191006D+00  0.152450D+01  0.419159D+00  0.227186D+00  0.579745D+00
               196           197           198           199           200 
      1  -0.157950D+02  0.782978D+01  0.104699D+02  0.469073D+02  0.122452D+02
      2   0.113992D+02 -0.731452D+01 -0.919911D+01 -0.232516D+02 -0.336730D+01
      3   0.439584D+01 -0.515268D+00 -0.127082D+01 -0.236557D+02 -0.887785D+01
      4   0.374530D+01 -0.590131D+01 -0.212244D+01  0.303462D+02  0.166438D+02
      5   0.142693D+02 -0.503523D+01 -0.144181D+02  0.228671D+02  0.893938D+01
      6   0.224437D+01  0.954974D+00 -0.234124D+01  0.106822D+02  0.503761D+01
               201           202           203           204           205 
      1   0.146909D+02  0.112913D+02  0.690599D+01  0.469809D+01  0.203700D+02
      2  -0.833110D+01 -0.815680D+00  0.138259D+01 -0.106498D+01 -0.123882D+02
      3  -0.635977D+01 -0.104756D+02 -0.828859D+01 -0.363311D+01 -0.798189D+01
      4   0.117625D+02  0.215904D+02  0.174561D+02  0.885160D+01  0.188822D+02
      5   0.157503D+02  0.955140D+01  0.740624D+01  0.630574D+01  0.236160D+02
      6   0.665177D+01  0.723568D+01  0.571926D+01  0.617729D+01  0.106809D+02
               206           207           208           209           210 
      1   0.661094D+01  0.121254D+02 -0.707342D+01  0.828487D+01  0.364260D+01
      2  -0.264218D+01 -0.982338D+01  0.763276D+01 -0.109834D+02 -0.538976D+01
      3  -0.396875D+01 -0.230202D+01 -0.559345D+00  0.269856D+01  0.174716D+01
      4   0.105346D+02  0.121279D+02 -0.369621D+01  0.383192D+01  0.987221D+00
      5   0.842443D+01  0.193860D+02  0.491360D+00 -0.155785D+01 -0.124452D-01
      6   0.671810D+01  0.982170D+01  0.348153D+01 -0.460362D+01 -0.369570D+01
               211           212           213           214           215 
      1   0.509208D+01 -0.197306D+02 -0.753948D+01  0.582924D+01 -0.134328D+02
      2  -0.412998D+01  0.330540D+02  0.102318D+02 -0.488648D+01  0.179320D+02
      3  -0.962099D+00 -0.133234D+02 -0.269233D+01 -0.942759D+00 -0.449919D+01
      4   0.651769D+01  0.103171D+02  0.934359D+00  0.279497D+01  0.360304D+01
      5  -0.824357D+00  0.330824D+01  0.404098D+01  0.117410D+01  0.586389D+01
      6  -0.287010D+01  0.104100D+02  0.971019D+01 -0.163692D+01  0.139913D+02
               216           217           218           219           220 
      1  -0.900352D+01  0.141347D+02  0.636342D+01 -0.347181D+01  0.159650D+01
      2   0.101593D+02  0.169089D+00  0.667814D+01 -0.173241D+01  0.979871D+01
      3  -0.115582D+01 -0.143038D+02 -0.130416D+02  0.520422D+01 -0.113952D+02
      4   0.298698D+01  0.285641D+02  0.259224D+02 -0.129988D+02  0.225124D+02
      5   0.606157D+01 -0.123505D+02 -0.106315D+02  0.101415D+02 -0.839386D+01
      6   0.133609D+02 -0.102853D+02 -0.980060D+01  0.782339D+01 -0.984763D+01
               221           222           223           224           225 
      1  -0.628362D+01  0.162858D+01 -0.311484D+01  0.128700D+01 -0.208918D+01
      2   0.238302D+02 -0.685544D+01 -0.292469D+01 -0.806978D+01  0.438376D+01
      3  -0.175466D+02  0.522685D+01  0.603953D+01  0.678278D+01 -0.229458D+01
      4   0.317391D+02 -0.131029D+02 -0.177024D+02 -0.209293D+02  0.160684D+02
      5  -0.114943D+02  0.816809D+01  0.128247D+02  0.136834D+02 -0.146772D+02
      6  -0.145628D+02  0.117629D+02  0.114406D+02  0.175855D+02 -0.161659D+02
               226           227           228           229           230 
      1  -0.578314D+01  0.921080D+01 -0.676481D+01  0.623299D+01 -0.134109D+02
      2   0.523947D+01 -0.899359D+01  0.417558D+01 -0.517920D+01  0.172635D+02
      3   0.543673D+00 -0.217215D+00  0.258922D+01 -0.105379D+01 -0.385257D+01
      4  -0.106901D+02  0.306215D+01 -0.224186D+01  0.697298D+01 -0.459910D+01
      5   0.357812D+01 -0.216112D+01  0.139874D+01 -0.169750D+01  0.209678D+01
      6  -0.459654D+01  0.116327D+02 -0.837186D+01  0.558048D+01 -0.127565D+02
               231           232           233           234           235 
      1   0.764304D+01 -0.275103D+01  0.546741D+01 -0.704595D+01  0.161683D+01
      2  -0.625221D+01  0.134811D+01 -0.226094D+01  0.133256D+01 -0.486072D+01
      3  -0.139083D+01  0.140292D+01 -0.320647D+01  0.571339D+01  0.324389D+01
      4   0.338595D+01 -0.827739D+00  0.367146D+01 -0.320698D+01  0.276680D+01
      5  -0.545770D+00  0.192469D+01 -0.103177D+01  0.348109D+00 -0.609371D+01
      6   0.924461D+01 -0.429932D+01  0.705515D+01 -0.855459D+01 -0.203652D+01
               236           237           238           239           240 
      1   0.250289D+00 -0.558857D+00 -0.263119D+00 -0.789456D-01 -0.126019D+01
      2   0.794504D+00  0.674277D+01  0.146778D+01 -0.370948D+01 -0.587918D+01
      3  -0.104479D+01 -0.618391D+01 -0.120466D+01  0.378843D+01  0.713937D+01
      4   0.238117D+01 -0.145471D+01 -0.212719D+01 -0.557525D+01  0.813534D+00
      5  -0.248192D+00  0.890992D+01  0.216562D+01 -0.140811D+00 -0.442235D+01
      6  -0.111659D+00  0.307136D+01  0.190992D+01  0.256049D+01 -0.452789D+00
               241           242           243           244           245 
      1   0.376208D+00  0.212372D+01 -0.106967D+02  0.100272D+02 -0.378083D+01
      2   0.496484D+01 -0.273680D+01 -0.174518D+02 -0.615439D+01  0.353923D+01
      3  -0.534105D+01  0.613080D+00  0.281485D+02 -0.387277D+01  0.241603D+00
      4  -0.311966D+01 -0.282903D+01  0.185676D+00 -0.766084D+01  0.784930D+01
      5   0.684921D+01  0.539786D+00 -0.154705D+02  0.719585D+01 -0.589076D+01
      6   0.254649D+01  0.440666D+01 -0.129091D+02 -0.323028D+01  0.269550D+01
               246           247           248           249           250 
      1   0.283968D+01 -0.916672D+01  0.236033D+01 -0.305330D+01 -0.349518D+00
      2  -0.351323D+01  0.823108D+01 -0.344671D+01  0.592934D+01 -0.234547D+01
      3   0.673543D+00  0.935639D+00  0.108638D+01 -0.287605D+01  0.269498D+01
      4  -0.491437D+01  0.586700D+01 -0.146849D+02  0.637600D+01 -0.455995D+01
      5   0.642840D+01 -0.116662D+02  0.809168D+01 -0.979007D+01  0.535527D+01
      6  -0.189755D+01  0.474246D+01 -0.667190D+01  0.426772D+01 -0.197799D+01
               251           252           253           254           255 
      1  -0.349975D+00 -0.862294D+00 -0.549012D+01  0.948908D+00  0.353289D+01
      2   0.233782D+01 -0.485394D+01  0.233989D+01  0.244135D+00  0.176758D+01
      3  -0.198785D+01  0.571624D+01  0.315023D+01 -0.119304D+01 -0.530047D+01
      4   0.370899D+01 -0.484925D+01 -0.342709D+01 -0.246906D+00 -0.100179D+01
      5  -0.523241D+01  0.815684D+01 -0.261085D+01 -0.741186D+00 -0.186825D+00
      6   0.372977D+01 -0.258962D+01  0.767282D+00 -0.344379D+00 -0.196409D+01
               256           257           258           259           260 
      1   0.266307D+01 -0.379168D+01 -0.665637D+01  0.289132D+01 -0.396563D+01
      2  -0.162830D+01 -0.217093D-01 -0.119113D+01 -0.372309D+01 -0.137736D+01
      3  -0.103477D+01  0.381339D+01  0.784750D+01  0.831776D+00  0.534299D+01
      4   0.398861D+01  0.355820D+01  0.347109D+01  0.216751D+01  0.341715D+01
      5   0.186881D+01  0.370851D+01  0.555915D+01  0.537299D+01  0.297623D+01
      6   0.145390D+01  0.537561D+01  0.860550D+01  0.958543D+00  0.590583D+01
               261           262           263           264           265 
      1  -0.168678D+02  0.187996D+02  0.280104D+01 -0.687323D+01  0.125086D+01
      2  -0.112624D+02 -0.169767D+02 -0.587887D+01  0.916978D+01 -0.348757D+01
      3   0.281302D+02 -0.182299D+01  0.307783D+01 -0.229655D+01  0.223671D+01
      4   0.191308D+01 -0.120852D+02  0.483534D+01  0.520197D+01 -0.622261D-01
      5   0.165248D+02 -0.179356D+02  0.990509D+00  0.108719D+02 -0.431628D+01
      6   0.115143D+02  0.558057D+01 -0.224958D+01 -0.507447D+01  0.412893D+00
               266           267           268           269           270 
      1   0.446288D+01 -0.326536D+00 -0.417160D+01  0.309866D+00  0.190826D+01
      2  -0.381040D+01  0.167651D+01  0.742287D+01 -0.941490D+00 -0.769113D+01
      3  -0.652481D+00 -0.134998D+01 -0.325127D+01  0.631624D+00  0.578287D+01
      4   0.428245D+00  0.669870D+00  0.161271D+01  0.638404D-01 -0.218947D+01
      5  -0.262626D+00  0.251726D+01  0.803134D+01  0.621686D+00 -0.770503D+01
      6  -0.165943D+01 -0.487324D+00 -0.246586D+01  0.945996D+00  0.395308D+01
               271           272           273           274           275 
      1  -0.481721D+00 -0.585749D+01 -0.778131D+01 -0.155243D+01 -0.307156D+01
      2  -0.411699D+01  0.545766D+01 -0.148306D+01  0.128233D+01  0.697046D+00
      3   0.459871D+01  0.399829D+00  0.926437D+01  0.270097D+00  0.237451D+01
      4   0.411280D+01 -0.188854D+01  0.257100D+01 -0.111577D+00  0.168817D+01
      5   0.178265D+01 -0.884137D+00  0.244862D+01 -0.312909D+00  0.180183D+01
      6   0.178233D+01  0.542180D+01  0.815060D+01  0.233032D+01  0.331802D+01
               276           277           278           279           280 
      1  -0.266059D+01 -0.244595D+01 -0.611575D+01 -0.159206D+02  0.124037D+02
      2   0.784983D+00 -0.747083D+00  0.180384D+01 -0.122068D+02 -0.115674D+02
      3   0.187561D+01  0.319303D+01  0.431191D+01  0.281273D+02 -0.836360D+00
      4   0.134807D+01  0.326549D+01 -0.140998D+01  0.281535D+01  0.176426D+02
      5   0.651906D+00  0.368714D+01 -0.728613D+00 -0.346940D+01 -0.155378D+02
      6   0.603301D+01  0.127706D+01  0.757565D+01  0.198316D+02 -0.883870D+01
               281           282           283           284           285 
      1  -0.336472D+01 -0.267410D+01  0.636863D+00  0.353369D+01 -0.114786D+01
      2   0.605242D+01  0.551861D+01  0.138859D+01 -0.134087D+01  0.287556D+00
      3  -0.268770D+01 -0.284451D+01 -0.202546D+01 -0.219282D+01  0.860307D+00
      4   0.670992D+01 -0.881109D+01  0.320413D+01  0.282617D+01 -0.913818D+00
      5  -0.472155D+01  0.988856D+01  0.241077D-03 -0.598679D+00 -0.106954D+00
      6  -0.531880D+01  0.781685D+01 -0.130658D+01  0.646550D+00  0.803333D+00
               286           287           288           289           290 
      1  -0.234481D+01 -0.109397D+01  0.353506D+00 -0.640800D+00  0.632841D+01
      2   0.541501D+01  0.243770D+01 -0.602899D+01 -0.393652D+01 -0.653664D+01
      3  -0.307021D+01 -0.134373D+01  0.567548D+01  0.457732D+01  0.208231D+00
      4  -0.413968D+01 -0.115492D+01  0.409846D+01 -0.310351D+01  0.926278D+00
      5   0.719655D+01  0.840165D+00 -0.625663D+01  0.240639D+01 -0.564767D+00
      6   0.409619D+01  0.178339D+01 -0.571572D+01 -0.325680D+01  0.533383D+01
               291           292           293           294           295 
      1  -0.635523D+01  0.173185D+01  0.480050D-01  0.128453D+00 -0.239182D+01
      2  -0.309363D+01 -0.207916D+01 -0.238412D+01 -0.719316D+00 -0.182458D+01
      3   0.944885D+01  0.347314D+00  0.233612D+01  0.590863D+00  0.421640D+01
      4  -0.415597D+01  0.385529D+00 -0.198399D+01  0.970063D+00 -0.334478D+01
      5   0.481947D+01 -0.323379D+00  0.235162D+01 -0.948418D+00  0.406659D+01
      6  -0.846647D+01  0.219767D+01 -0.696769D+00  0.359515D+01 -0.222146D+01
               296           297           298           299           300 
      1   0.591321D+01 -0.142995D+02  0.309825D+01  0.213248D+01 -0.202733D-03
      2  -0.254859D+01 -0.138016D+02  0.248315D+00 -0.923379D+00  0.140832D+00
      3  -0.336462D+01  0.281011D+02 -0.334657D+01 -0.120910D+01 -0.140629D+00
      4  -0.133254D+00 -0.337613D+01  0.633692D+01  0.675039D+01  0.364760D+01
      5  -0.201703D+00  0.169432D+01  0.231034D+01  0.422574D+01  0.335196D+01
      6   0.717806D+01 -0.200268D+02  0.218758D+01  0.270459D+01  0.164105D+01
               301           302           303           304           305 
      1   0.827500D+01 -0.472449D+01 -0.143339D+00 -0.244671D+01 -0.196195D+01
      2  -0.652165D+01  0.466195D+01 -0.299987D+01  0.446499D+00 -0.765332D+00
      3  -0.175334D+01  0.625331D-01  0.314320D+01  0.200021D+01  0.272728D+01
      4   0.760246D+01  0.180258D+02  0.919111D+01  0.330340D+01  0.507784D+01
      5   0.944394D+01  0.939195D+01  0.978113D+01  0.336581D+01  0.529838D+01
      6   0.628095D+01  0.106408D+02  0.749983D+01  0.180577D+01  0.578748D+01
               306           307           308           309           310 
      1  -0.366968D+01 -0.509449D+01 -0.167868D+01  0.162525D+01 -0.522398D+01
      2  -0.199780D+01  0.246824D+01  0.796470D+00  0.146623D+01  0.450496D+01
      3   0.566748D+01  0.262625D+01  0.882208D+00 -0.309148D+01  0.719023D+00
      4   0.514635D+01  0.256133D+00  0.739021D+00  0.162109D+00  0.351866D+01
      5   0.715534D+01 -0.156356D+01 -0.913218D+00  0.124817D+01 -0.388854D+01
      6   0.452698D+01 -0.177026D+01  0.494976D+00  0.472991D-01  0.157273D+01
               311           312           313           314           315 
      1  -0.338353D+01  0.519344D+01  0.287442D+01  0.295718D+01 -0.155766D+02
      2  -0.955676D+00  0.378189D+01 -0.502617D+01  0.200352D+01 -0.125249D+02
      3   0.433920D+01 -0.897533D+01  0.215176D+01 -0.496071D+01  0.281016D+02
      4  -0.318014D+01  0.455593D+01 -0.118129D+01  0.343624D+01 -0.303775D+01
      5   0.415657D+01 -0.751028D+01  0.635298D+01 -0.284722D+01  0.188754D+02
      6  -0.385768D+01  0.715555D+01 -0.826689D+00  0.492505D+01 -0.695844D+01
               316           317           318           319           320 
      1  -0.552450D+01 -0.721273D+01 -0.486720D+01 -0.673389D+01 -0.178724D+02
      2   0.539192D+01  0.582663D+01  0.269565D+01  0.465957D+01  0.210708D+02
      3   0.132588D+00  0.138610D+01  0.217156D+01  0.207431D+01 -0.319843D+01
      4   0.524232D+01  0.450998D-01 -0.641426D+00  0.558527D+01 -0.268636D+01
      5   0.212915D+01 -0.570296D-01 -0.293916D+00  0.109454D+01 -0.117504D+01
      6   0.129193D+01  0.877546D+01  0.591160D+01  0.274378D+01  0.166716D+02
               321           322           323           324           325 
      1  -0.995803D+01 -0.134207D+01 -0.747393D+01 -0.808455D+01  0.225095D+01
      2   0.793781D+01  0.915476D+00  0.411360D+01  0.234347D+01 -0.496024D+01
      3   0.202021D+01  0.426590D+00  0.336033D+01  0.574108D+01  0.270929D+01
      4  -0.687954D+00 -0.278732D+00  0.150321D+01  0.727699D+00 -0.557315D+00
      5  -0.197361D+01  0.101149D+01 -0.528157D+00 -0.182773D+01 -0.539968D+01
      6   0.109422D+02  0.277136D+01  0.809296D+01  0.840247D+01 -0.681757D-01
               326           327           328           329           330 
      1  -0.997089D-01 -0.104105D+01  0.257998D+01 -0.277113D+01  0.928381D+00
      2  -0.673337D+00  0.526362D+01 -0.348291D+01 -0.151675D+01  0.754215D+01
      3   0.773046D+00 -0.422257D+01  0.902929D+00  0.428788D+01 -0.847053D+01
      4   0.595402D+00 -0.416671D+00 -0.306532D+01  0.557463D+01 -0.541398D+00
      5  -0.129423D+01  0.802920D+01 -0.412716D+01 -0.488825D+00  0.664441D+01
      6   0.594870D+00 -0.863975D+00  0.195147D+01 -0.203852D+01  0.481418D+00
               331           332           333 
      1  -0.738789D+00 -0.628247D+00 -0.110145D+02
      2   0.577691D+01  0.260625D+01 -0.171185D+02
      3  -0.503812D+01 -0.197801D+01  0.281330D+02
      4   0.251094D+01 -0.311810D+01  0.148244D+01
      5   0.747490D+01  0.271100D+00 -0.182373D+02
      6  -0.175686D+01  0.381093D+01  0.853161D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.157039D-03      0.399154D-03      0.133143D-02
   y          0.284774D-03      0.723822D-03      0.241441D-02
   z         -0.733540D-04     -0.186447D-03     -0.621921D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.150650D+03      0.223241D+02      0.248389D+02
   yx        -0.245137D-02     -0.363255D-03     -0.404176D-03
   yy         0.150603D+03      0.223171D+02      0.248311D+02
   zx         0.166888D-03      0.247302D-04      0.275160D-04
   zy         0.306928D-02      0.454821D-03      0.506056D-03
   zz         0.117003D+03      0.173381D+02      0.192912D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143201D+03      0.212202D+02      0.236107D+02
   aniso      0.342815D+02      0.507999D+01      0.565225D+01
   xx         0.154664D+03      0.229188D+02      0.255006D+02
   yx        -0.173099D-01     -0.256507D-02     -0.285402D-02
   yy         0.154593D+03      0.229083D+02      0.254889D+02
   zx         0.586794D-02      0.869539D-03      0.967493D-03
   zy         0.442262D-02      0.655365D-03      0.729192D-03
   zz         0.120347D+03      0.178336D+02      0.198425D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.18798152         -0.00184275         -5.51146243
     6         -3.72640228         -0.19923533         -4.22563861
     7         -3.52290181          0.97941785         -1.64512882
    45          0.00040412          0.00028466         -0.00035158
     7          0.78649380         -1.08984591         -3.77735185
     7          3.70039698         -0.79903629          1.32048079
     6          5.13301939          1.63404133          1.66271549
     6          4.48954954          3.37305603         -0.50471234
     7          1.65866978          3.58767711         -0.67680213
     7         -1.14831049          0.90113696          3.73324954
     6         -1.68879245         -1.49585121          5.16549533
     6         -3.02196561         -3.31186299          3.41598836
     7         -1.47368787         -3.57909706          1.04501489
     1          5.18220702          2.62486591         -2.29564746
     1          5.33815209          5.23337163         -0.24746241
     1          4.57622572          2.45310707          3.47003126
     1          7.15942615          1.26976940          1.75233530
     1          0.10717198         -2.26770413          5.81811457
     1         -2.82767459         -1.09528283          6.83569427
     1         -4.88466663         -2.60791404          2.88487667
     1         -3.29210255         -5.14884561          4.31018309
     1         -4.29222612         -2.16622872         -3.98522884
     1         -5.19725764          0.73208870         -5.32847890
     1         -0.69154590          1.96204175         -5.89037040
     1         -1.18590047         -0.99472601         -7.31735772
     1          2.52699870         -0.57449175         -4.42282341
     1          0.76120691         -3.01075989         -3.94159914
     1         -5.06716645          0.47209746         -0.61098411
     1         -3.67271322          2.89307837         -1.82699598
     1         -2.55138757         -4.43507703         -0.30312001
     1         -0.04149736         -4.82583242          1.37987212
     1          0.11729899          1.94945706          4.73863608
     1         -2.74840985          1.97650095          3.70375727
     1          3.77284177         -1.79554131          2.96768836
     1          4.64633062         -1.89861806          0.05008711
     1          1.20129795          4.38386451         -2.37043365
     1          1.05598405          4.86633085          0.63452049

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.333374D-03      0.847352D-03      0.282646D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.143180D+03      0.212170D+02      0.236071D+02
   yx         0.135343D+02      0.200558D+01      0.223151D+01
   yy         0.126093D+03      0.186851D+02      0.207900D+02
   zx         0.350097D+01      0.518790D+00      0.577232D+00
   zy        -0.631037D+01     -0.935100D+00     -0.104044D+01
   zz         0.148984D+03      0.220771D+02      0.245641D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143201D+03      0.212202D+02      0.236107D+02
   aniso      0.342815D+02      0.507999D+01      0.565225D+01
   xx         0.147054D+03      0.217911D+02      0.242459D+02
   yx         0.138041D+02      0.204556D+01      0.227599D+01
   yy         0.129616D+03      0.192071D+02      0.213708D+02
   zx         0.356991D+01      0.529006D+00      0.588599D+00
   zy        -0.643295D+01     -0.953265D+00     -0.106065D+01
   zz         0.152934D+03      0.226624D+02      0.252154D+02

 ----------------------------------------------------------------------
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 If fifty million people say a stupid thing,
 it is still a stupid thing.
                   -- Anatole France
 Job cpu time:       2 days 13 hours 21 minutes 16.6 seconds.
 Elapsed time:       0 days  3 hours 50 minutes 22.5 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 04:34:40 2021.
